Results for:
chemical Classification: lactames

Piperidin-2-one

Compound Details

Synonymous names
2-Piperidone
piperidin-2-one
675-20-7
DELTA-VALEROLACTAM
2-Piperidinone
Valerolactim
5-Pentanolactam
Piperidone
Piperidinone
Valerolactam
Piperidon
alpha-Piperidone
Piperidone-2
PIPERIDONE,2-
.alpha.-Piperidone
2-oxopiperidine
2-Azacyclohexanone
Piperidon [German]
Pentanoic acid, 5-amino-, lactam
.delta.-Valerolactam
2-oxo-piperidine
NSC 2305
NSC 18894
WLN0GQQ6EK
MFCD00006037
CHEMBL12193
27154-43-4
CHEBI:77761
NSC-2305
NSC18894
Piperidon (german)
NSC-18894
Pentanoic acid, lactam
WLN: T6NVTJ
Piperidones
Piperidone-2 [French]
d-Valerolactam
UNII-WLN0GQQ6EK
EINECS 211-622-9
75-20-7
ketopiperidine
oxopiperidine
5-pentanelactam
2-piperadinone
A-Piperidone
AI3-33342
d-Valero-lactam
piperadine-2-one
piperidine-2-one
delta -Valerolactam
V1L
5-amino-lactam-Pentanoate
delta-Valerolactam, 98%
BDBM10
5-amino-lactam-Pentanoic acid
piperidin-2-one;2-Piperidone
DTXSID1060976
NSC2305
BCP00878
Piperidin-2-one; delta-Valerolactam
BBL027557
STL281850
AKOS005206867
CS-W022933
HY-W042193
MCULE-9168245534
SB41073
AC-15619
AC-33837
NCI60_001574
SY011119
DB-031244
A9047
AM20100626
NS00015672
P0455
EN300-24025
F10312
Q4596918
W-104710
F0001-1780
Z168817684
InChI=1/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7
25036-00-4
Microorganism:

Yes

IUPAC namepiperidin-2-one
SMILESC1CCNC(=O)C1
InchiInChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
FormulaC5H9NO
PubChem ID12665
Molweight99.13
LogP-0.5
Atoms7
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides lactames heterocyclic compounds nitrogen compounds
CHEBI-ID77761
Supernatural-IDSN0440743

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Amyloliquefaciensstimulate growth of Solanum tuberosumcommercial strainHeenan-Daly et al. 2021
ProkaryotaBacillus Toyonensisstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaBacillus Mycoidesstimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaSerratia Fonticolastimulate growth of Solanum tuberosumisolate from Irish potato soilsHeenan-Daly et al. 2021
ProkaryotaStreptomyces Rocheiinhibited the mycelial growth of Lasiodiplodia theobromae L26NASudha et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus AmyloliquefaciensMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaBacillus ToyonensisMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaBacillus MycoidesMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaSerratia FonticolaMR-VP (Methyl Red-Vogos Proskeur) mediaSPME/GC-MSno
ProkaryotaStreptomyces Rocheistarch casein agarSPME/GC-MSno


1-(4-bromobutyl)piperidin-2-one

Compound Details

Synonymous names
1-(4-Bromobutyl)-2-piperidinone
1-(4-bromobutyl)piperidin-2-one
2-Piperidinone, N-[4-bromo-n-butyl]-
SCHEMBL7625589
1-(4-bromobutyl)-2-piperidone
CHEBI:88062
1-(4-Bromobutyl)-2-piperidinone #
N-[4-bromo-n-butyl]-2-piperidinone
Q27160031
195194-80-0
Microorganism:

Yes

IUPAC name1-(4-bromobutyl)piperidin-2-one
SMILESC1CCN(C(=O)C1)CCCCBr
InchiInChI=1S/C9H16BrNO/c10-6-2-4-8-11-7-3-1-5-9(11)12/h1-8H2
FormulaC9H16BrNO
PubChem ID536377
Molweight234.13
LogP1.4
Atoms12
Bonds4
H-bond Acceptor1
H-bond Donor0
Chemical Classificationlactames amides bromides heterocyclic compounds halogenated compounds nitrogen compounds
CHEBI-ID88062
Supernatural-IDSN0261254

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces ThermocarboxydusNANAPassari et al. 2019
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces Thermocarboxydusactinomycetes isolation agar (AIA)GC-MSno


Azacyclotridecan-2-one

Compound Details

Synonymous names
Azacyclotridecan-2-one
947-04-6
Laurolactam
omega-Laurinlactam
Lauryl lactam
Dodecyllactam
Laurinolactam
2-Azacyclotridecanone
Laurin lactam
omega-Laurolactam
Nylon 12
CYCLODODECALACTAM
Dodecanolactam
2-Oxo-dodecamethylenimine
1-Aza-2-cyclotridecanone
omega-Dodecalactam
omega-Dodecanolactam
Dodecane-12-lactam
Dodecalactam
1-azacyclotridecan-2-one
Dodecanoic acid, 12-amino-, lactam
NSC 77100
.omega.-Dodecanolactam
Cyclododecanone isooxime
HSDB 5774
UNII-UB8VFC953G
EINECS 213-424-8
UB8VFC953G
.omega.-Laurolactam
BRN 0122031
.omega.-Dodecalactam
C12H23NO
Nylon-12
25038-74-8
12-Aminododecanolactam
Aza-2-cyclotridecanone
NSC-77100
12-Aminododecanoic acid lactam
DTXSID1027344
EC 213-424-8
5-21-06-00566 (Beilstein Handbook Reference)
Lauryl lactam 100 microg/mL in Acetonitrile
DTXCID107344
CAS-947-04-6
laurinlactam
laurino-lactam
2-azacylotridecanone
Aza-cyclotridecan-2-on
Dodecanoic acid, lactam
Aza-cyclotridecan-2-one
Nylon-12, monomer-based
SCHEMBL35963
trans-Azacyclotridecan-2-one
12-Aminododecanolactam, 98%
Azacyclotridecan-2-one, (E)-
CYCLODODECALACTAM [HSDB]
CHEMBL3181948
NIOSH/CL6950000
SCHEMBL17812999
CHEBI:172332
NSC77100
Tox21_202067
Tox21_303079
BBL023755
MFCD00005104
STL356004
AKOS005267133
MCULE-1851658645
Laurolactam, puriss., >=99.0% (N)
NCGC00164406-02
NCGC00257006-01
NCGC00259616-01
AS-58244
CL69500000
CS-0313348
L0092
NS00003509
D91242
Q2043636
Microorganism:

No

IUPAC nameazacyclotridecan-2-one
SMILESC1CCCCCC(=O)NCCCCC1
InchiInChI=1S/C12H23NO/c14-12-10-8-6-4-2-1-3-5-7-9-11-13-12/h1-11H2,(H,13,14)
FormulaC12H23NO
PubChem ID13690
Molweight197.32
LogP2.8
Atoms14
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides lactames nitrogen compounds heterocyclic compounds
CHEBI-ID172332
Supernatural-IDSN0165942

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANANeerincx et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusSDB + chloramphenicolTD/GC-MSno


1-methylpyrrolidin-2-one

Compound Details

Synonymous names
1-METHYL-2-PYRROLIDINONE
872-50-4
N-Methylpyrrolidone
N-Methyl-2-pyrrolidone
1-methylpyrrolidin-2-one
Methylpyrrolidone
N-Methyl-2-pyrrolidinone
1-Methyl-2-pyrrolidone
M-Pyrol
Methyl pyrrolidone
1-Methylpyrrolidone
1-Methylpyrrolidinone
N-Methylpyrrolidinone
n-methyl-pyrrolidone
2-Pyrrolidinone, 1-methyl-
1-Methyl-5-pyrrolidinone
1-Methylazacyclopentan-2-one
NMP
N-methylpyrrolidin-2-one
N-Methyl-gamma-butyrolactam
N-methyl pyrrolidone
pharmasolve
1-methylpyrrolidine-2-one
N-methyl pyrrolidinone
Methyl-2-pyrrolidinone
1-methyl-2-pyrrolidon
Methylpyrrolidinone
Agsolex 1
2-Pyrrolidinone, methyl-
2687-44-7
N-Methyl-alpha-pyrrolidone
N-Methyl-alpha-pyrrolidinone
NSC 4594
CCRIS 1633
Methylpyrrolidone [NF]
N-Methylpyrrolid-2-one
51013-18-4
DTXSID6020856
HSDB 5022
UNII-JR9CE63FPM
JR9CE63FPM
NSC-4594
Pyrol M
EINECS 212-828-1
Microposit 2001
CHEBI:7307
26138-58-9
AI3-23116
1-methyl-2-pyrolidinone
MFCD00003193
1-methyl-pyrrolidin-2-one
N-Methyl-.alpha.-pyrrolidone
CHEMBL12543
DTXCID60856
N-Methyl-.gamma.-butyrolactam
N-Methyl-.alpha.-pyrrolidinone
NSC4594
EC 212-828-1
N 0131
1-Methyl-2-pyrrolidinone, HPLC Grade
SL 1332
M 0418
METHYL PYRROLIDONE (II)
METHYL PYRROLIDONE [II]
METHYLPYRROLIDONE (USP-RS)
METHYLPYRROLIDONE [USP-RS]
N-METHYLPYRROLIDONE (MART.)
N-METHYLPYRROLIDONE [MART.]
N-METHYLPYRROLIDONE (USP-RS)
N-METHYLPYRROLIDONE [USP-RS]
N-Methylpyrrolidon
CAS-872-50-4
N-METHYLPYRROLIDONE (EP MONOGRAPH)
N-METHYLPYRROLIDONE [EP MONOGRAPH]
N-methyl-pyrrolidinone
N-Methylpyrrolidone; 1-Methylpyrrolidin-2-one
Methylpyrrolidone, N-
Pyrrolidinone, methyl-
N-Methyl-2-pyrrolidon
1-methyl-2-pyrolidone
N-methyl-pyrrolidin-2-one
1-Methyl-2-pyrrolidinone, puriss. p.a., >=99.0% (GC)
Micropure ultra
N-methylpyrolidone
N-methypyrrolidone
Max-1 peptide
N-methylpirrolidone
1methylpyrrolidinone
n-methyl pyrrolidon
N-methy pyrrolidone
N-methyl-pyrolidone
N-methyl-pyrrolidon
N-methylpyrolidinone
1-methylpyrolidinone
n-methylpyrollidinone
N-Methylpyrrolidione
N-methlypyrrolidinone
N-methyl pirrolidone
N-methyl pyrollidone
N-methyl-pyrollidone
N-methylpyrrolidone-
NMP,SP Grade
1-methyl pyrrolidone
1-methyl-pyrrolidone
methyl-2-pyrrolidone
N-methy pyrrolidinone
N-methyl pyrolidinone
N-methyl-pyrolidinone
N-methyl- pyrrolidone
N-methylpyrro-lidinone
N-methylpyrroli-dinone
N-methylpyrrolidin-one
1-methyl-2pyrrolidone
1-methyl2-pyrrolidone
1methyl-2-pyrrolidone
1-methyl pyrrolidinone
1-methyl-pyrrolidinone
methylpyrrolidin-2-one
N-methy-2-pyrrolidone
N-methyl 2-pyrolidone
N-methyl-2-pyrolidone
PYROL-M
3p1d
N-methyl 2-pyrrolidone
N-methyl-2-pyrollidone
1-methyl-2-pirrolidone
1-methyl-2-pyroldinone
1-methylpyrrolid-2-one
1methyl-2-pyrrolidinone
n-methylpyrrolidine-2one
N-methyl-2-pyrolidinone
N-methyl-2-pyrrolidinon
N-methylpyrolidin-2-one
1-methy-2-pyrrolidinone
N-methyl 2-pyrrolidinone
N-methyl-2-pyrollidinone
N-methyl-pyrrolid-2-one
N-methylpyrollidin-2-one
1 -methyl-2-pyrrolidone
1-methyl 2-pyrrolidinone
1-methyl-2-pyrollidinone
1-methyl-pyrrolin-2-one
N-Methylpyrrolidone-(2)
1-Methyl-pyrrolidin-2one
N-methylpyrrolidine-2-one
WLN: T5NVTJ A
N-methyl -2-pyrrolidinone
1 -methyl-2-pyrrolidinone
1-methyl -2-pyrrolidinone
1-methyl-2- pyrrolidinone
2-Pyrrolidone, 1-methyl-
1-methyl-pyrrolidine-2-one
1-N-methyl-2-pyrrolidinone
N-methyl-pyrrolidin -2-one
30207-69-3
1-Methylazacyclopentane-2-one
GTPL9520
1-Methyl-2- pyrrolidin-2-one
1-methyl-2-pyrrolidinone (nmp)
1-METHYLPYRROLIDONE [MI]
METHYL PYRROLIDONE [INCI]
N-METHYL-2-KETOPYRROLIDINE
HY-Y1275
Tox21_202350
Tox21_300097
1-Methyl-2-pyrrolidinone, 99.5%
1-Methyl-2-pyrrolidinone, anhydrous
BDBM50353587
N-Methyl pyrrolidon (Peptide Grade)
s6282
STL183295
N-Methyl-2-pyrrolidinone ACS reagent
AKOS000120930
1-Methyl-2-pyrrolidinone, BioSolv(R)
DB12521
MCULE-1381506705
1-Methyl-2-pyrrolidone, Reagent, ACS
1-METHYL-2-PYRROLIDINONE [HSDB]
NCGC00247902-01
NCGC00247902-02
NCGC00253935-01
NCGC00259899-01
BP-31156
DB-230823
DB-231528
1-Methyl-2-pyrrolidone (Low water content)
AM20110252
CS-0017258
M0418
M3055
NS00009178
1-Methyl-2-pyrrolidinone, analytical standard
1-Methyl-2-pyrrolidinone, anhydrous, 99.5%
1-Methyl-2-pyrrolidinone, for HPLC, >=99%
1-Methyl-2-pyrrolidinone, for synthesis, 99%
D78116
Q33103
Residual Solvent Class 2 - N-Methylpyrrolidone
1-Methyl-2-pyrrolidinone, ReagentPlus(R), 99%
1-Methyl-2-pyrrolidinone, Spectrophotometric Grade
2-PYRROLIDONE,1-METHYL MFC5 H9 N1 O1
A842053
1-Methyl-2-pyrrolidinone, ACS reagent, >=99.0%
2,5-Dichloro-4,6-dimethyl pyridine-3-carbonitrile
J-504921
J-803017
1-Methyl-2-pyrrolidinone, biotech. grade, >=99.7%
1-Methyl-2-pyrrolidinone, Electronic/Cleanroom Grade
1-Methyl-2-pyrrolidinone, p.a., ACS reagent, 99%
1-Methyl-2-pyrrolidone, anhydrous, water 40ppm max.
1-Methyl-2-Pyrrolidinon, 99.5 %, ExtraDry, AcroSeal?
1-Methyl-2-pyrrolidinone, SAJ first grade, >=98.0%
Z104478382
1-Methyl-2-pyrrolidinone, spectrophotometric grade, >=99%
1-Methyl-2-pyrrolidinone, Vetec(TM) reagent grade, 98%
InChI=1/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H
1-Methyl-2-pyrrolidinone, for metal speciation analysis, >=99.0% (GC)
Methylpyrrolidone, United States Pharmacopeia (USP) Reference Standard
N-Methylpyrrolidone, Pharmaceutical Secondary Standard; Certified Reference Material
26876-92-6
Microorganism:

Yes

IUPAC name1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O
InchiInChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
FormulaC5H9NO
PubChem ID13387
Molweight99.13
LogP-0.5
Atoms7
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationamides lactames nitrogen compounds heterocyclic compounds
CHEBI-ID7307
Supernatural-IDSN0342995

mVOC Specific Details

Boiling Point
DegreeReference
202 °C peer reviewed
Volatilization
The Henry's Law constant for 1-methyl-2-pyrrolidone is 3.20X10-9 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1-methyl-2-pyrrolidone is expected to be essentially nonvolatile from water surfaces(2). 1-Methyl-2-pyrrolidone's Henry's Law constant indicates that volatilization from moist soil surfaces may not occur(SRC). 1-Methyl-2-pyrrolidone is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.345 mm Hg(3).
Soil Adsorption
The Koc of 1-methyl-2-pyrrolidone is estimated as 5(SRC), using a log Kow of -0.38(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1-methyl-2-pyrrolidone is expected to have very high mobility in soil. 1-Methyl-2-pyrrolidinone had Rf values of 0.74, 0.65, 0.67, and 1.0 in silt, loam, clay and sand, respectively, in laboratory soil thin layer chromatography (TLC) experiments(4) which is consistent with significant mobility in soil(SRC).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANADixon et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBTD/GC-MSno


Pyrrolidin-2-one

Compound Details

Synonymous names
pyrrolidin-2-one
2-Pyrrolidinone
616-45-5
2-PYRROLIDONE
Pyrrolidone
Butyrolactam
2-Oxopyrrolidine
Pyrrolidon
PYRROLIDINONE
2-Ketopyrrolidine
2-Pyrol
gamma-Butyrolactam
alpha-Pyrrolidinone
4-Aminobutyric acid lactam
gamma-Aminobutyric lactam
gamma-Aminobutyrolactam
alpha-Pyrrolidone
.alpha.-Pyrrolidone
2-Tetrahydropyrrolone
gamma-Aminobutyric acid lactam
.gamma.-Aminobutyrolactam
Butanoic acid, 4-amino-, lactam
Pyrrolidone-2
pyrrolid-2-one
NSC 4593
NSC 8413
pyrrolidine-2-one
azacyclopentan-2-one
.gamma.-Butyrolactam
.alpha.-Pyrrolidinone
MFCD00005270
KKL5D39EOL
.gamma.-Aminobutyric lactam
DTXSID8027246
CHEBI:36592
NSC-4593
NSC-8413
Butanoic acid, lactam
2-Pyrrolidinone, 99%
WLN: T5MVTJ
DTXCID707246
Pyrrolidon [German]
CAS-616-45-5
HSDB 2652
EINECS 210-483-1
UNII-KKL5D39EOL
butyrolactim
pyrollidone
2pyrrolidinone
a-pyrrolidone
2-pyrollidinone
2-pyrolidinone
2-pyrrolidinon
Aminobutyrolactam
Soluphor P
pyrrolidin-2-on
2-pyrrolidin-one
pyrolidine-2-one
pyrollidin-2-one
Tetrahydropyrrolone
2-oxo-pyrrolidine
Aminobutyric lactam
2-Azacyclopentanone
2-Oxo-4-butyrolactam
Aminobutyric acid lactam
1-azacyclopentan-2-one
2-Pyrrolidone-Butyrolactam
EC 210-483-1
2-pyrrolidone for synthesis
2-Pyrrolidinone, >=99%
NCIOpen2_000687
PYRROLIDONE [MART.]
2-PYRROLIDONE [MI]
2-PYRROLIDONE [HSDB]
CHEMBL276849
FEMA NO. 4829
.gamma.-Aminobutyric acid lactam
NSC4593
NSC8413
2-Pyrol4-aminobutyric acid lactam
PYRROLIDONE [EP MONOGRAPH]
Pyrrolidin-2-one (2-Pyrrolidone)
BCP26683
HY-Y1831
EINECS 245-100-7
Tox21_201630
Tox21_303259
STL197473
AKOS000119138
FG-0424
MCULE-3061780794
2-PYRROLIDONE MFC4 H7 N1 O1
NCGC00249089-01
NCGC00257072-01
NCGC00259179-01
PD078398
POVIDONE IMPURITY B [EP IMPURITY]
2-Pyrrolidinone, purum, >=98.0% (GC)
COPOVIDONE IMPURITY A [EP IMPURITY]
Pyrrolidin-2-one (1-aza-2-cyclopentanone)
CS-0019427
NS00007032
P0575
EN300-19119
A15700
D96808
Q285640
F0001-1634
Z104472846
Hydrogen tribromide, compound with pyrrolidin-2-one (1:3)
Pyrrolidone, European Pharmacopoeia (EP) Reference Standard
InChI=1/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6
Microorganism:

Yes

IUPAC namepyrrolidin-2-one
SMILESC1CC(=O)NC1
InchiInChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
FormulaC4H7NO
PubChem ID12025
Molweight85.1
LogP-0.8
Atoms6
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides nitrogen compounds lactames heterocyclic compounds
CHEBI-ID36592
Supernatural-IDSN0130308

mVOC Specific Details

Boiling Point
DegreeReference
245 °C peer reviewed
Volatilization
The Henry's Law constant for 2-pyrrolidone is estimated as 1.06X10-9 atm-cu m/mole(SRC) from its vapor pressure, 9.49X10-3 mm Hg(1), and miscibility in water(2). This Henry's Law constant indicates that 2-pyrrolidone is expected to be essentially nonvolatile from water surfaces(3). 2-Pyrrolidone's estimated Henry's Law constant(1,2) indicates that volatilization from moist soil surfaces will not occur(SRC). 2-Pyrrolidone is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 9.49X10-3 mm Hg(1).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 2-pyrrolidone can be estimated to be about 17(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2-pyrrolidone is expected to have very high mobility in soil.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaCandida AlbicansNANAFitzgerald et al. 2022
EukaryotaCandida ParapsilosisNANAFitzgerald et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaCandida AlbicansYPDSPME/GC-MSno
EukaryotaCandida ParapsilosisYPDSPME/GC-MSno


1-acetylpyrrolidin-2-one

Compound Details

Synonymous names
1-Acetyl-2-pyrrolidone
932-17-2
1-Acetylpyrrolidin-2-one
N-Acetyl-2-pyrrolidone
2-Pyrrolidinone, 1-acetyl-
N-Acetylpyrrolidone
N-Acetyl-2-pyrrolidinone
AI3-32424
MFCD00014101
DL2S7T2BKP
NSC-50334
EINECS 213-248-1
NSC 50334
2-Pyrrolidinone,1-acetyl-
BRN 0002625
N-Acetylpyrrolidon
NSC50334
N-acetylpyrrolidinone
UNII-DL2S7T2BKP
N-Acetylpyrrolidin-2-one
WLN: T5NVTJ AV1
1-Acetyl-2-pyrrolidinone #
5-21-06-00357 (Beilstein Handbook Reference)
CHEMBL12223
SCHEMBL185461
YLHUPYSUKYAIBW-UHFFFAOYSA-
DTXSID30239321
1-Acetyl-2-pyrrolidone , 95%
AKOS006228225
MCULE-3328735907
AS-59407
SY053592
DB-057381
CS-0186313
NS00039534
H11367
InChI=1/C6H9NO2/c1-5(8)7-4-2-3-6(7)9/h2-4H2,1H3
Microorganism:

Yes

IUPAC name1-acetylpyrrolidin-2-one
SMILESCC(=O)N1CCCC1=O
InchiInChI=1S/C6H9NO2/c1-5(8)7-4-2-3-6(7)9/h2-4H2,1H3
FormulaC6H9NO2
PubChem ID70266
Molweight127.14
LogP0
Atoms9
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationamides heterocyclic compounds lactames nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


Azepan-2-one

Mass-Spectra

Compound Details

Synonymous names
azepan-2-one
CAPROLACTAM
epsilon-Caprolactam
105-60-2
6-Caprolactam
2-Oxohexamethylenimine
Aminocaproic lactam
2H-Azepin-2-one, hexahydro-
6-Hexanelactam
2-Azacycloheptanone
Hexahydro-2H-azepin-2-one
2-Oxohexamethyleneimine
Hexanolactam
2-Perhydroazepinone
Hexahydro-2-azepinone
1,6-Hexolactam
Hexanone isoxime
Caprolattame
2-Ketohexamethylenimine
Cyclohexanone iso-oxime
E-Caprolactam
1-Aza-2-cycloheptanone
Epsylon kaprolaktam
Hexanonisoxim
Kaprolaktam
6-Aminocaproic acid lactam
Extrom 6N
hexannic acid
e-Kaprolaktam
Hexamethylenimine, 2-oxo-
Caprolactam monomer
1,6-Hexalactam
2-Ketohexamethyleneimine
Kapromine
Stilon
E-caprolactum
6-Aminohexanoic acid cyclic lactam
Perhydroazepin-2-one
2H-Azepin-7-one, hexahydro-
gamma-caprolactam
omega-caprolactum
Capron PK4
.epsilon.-Caprolactam
Hexanoic acid, 6-amino-, lactam
NCI-C50646
.omega.-Caprolactam
2H-azepin-7-one,hexahydro
Hexanoic acid, 6-amino-, cyclic lactam
Aza-2-cycloheptanone
CCRIS 119
HSDB 187
EINECS 203-313-2
Lactam, aminocaproic
NSC 117393
hexanoic acid-6-amino-,lactam
BRN 0106934
DTXSID4020240
CHEBI:28579
AI3-14515
UNII-6879X594Z8
A1030
MFCD00006936
cis-Hexahydro-2-azepinone
NSC-117393
hexahydro 2H Azepin 2 one
hexanoic acid-6-amino-lactam
DTXCID00240
6879X594Z8
FEMA NO. 4235
2-Azepinone, hexahydro-, (Z)-
EC 203-313-2
5-21-06-00444 (Beilstein Handbook Reference)
Cyclohexanoneisooxime
Hexanoic acid, lactam
WLN: T7MVTJ
CAPROLACTAM (IARC)
CAPROLACTAM [IARC]
Hexanoic acid, cyclic lactam
CAPROLACTAM (USP-RS)
CAPROLACTAM [USP-RS]
HEXANOIC ACID,6-AMINO,LACTAM E-CAPROLACTAM
Caprolattame [French]
e-Kaprolaktam [Czech]
Hexanonisoxim [German]
Epsylon kaprolaktam [Polish]
CAS-105-60-2
epsilon-?Caprolactam
hexahydroazepin-2-one
ZINC ACEXAMATE IMPURITY D (EP IMPURITY)
ZINC ACEXAMATE IMPURITY D [EP IMPURITY]
Caprolactam dust and vapor
caprolactim
Alkamid
Chemlon
Danamid
Kaprolit
Kaprolon
Metamid
Orgamide
Steelon
Akulon
Capron
Grilon
Itamid
Kapron
Stylon
Vidlon
Widlon
Orgamid rmnocd
Durethan bk
Ultramid bmk
6-hexanolactam
Tarlon xb
Caprolon B
Caprolon V
Kaprolit B
Kaprolon B
Renyl mv
Tarnamid T
hexano-6-lactam
Itamide S
Capron B
Ertalon 6sa
Kapron A
Kapron B
Caprolactam,(S)
Relon P
epsilon caprolactam
Durethan bk 30S
Tarlon X-A
Tarnamid T 2
Ultramid B 3
Ultramid B 4
Ultramid B 5
2-Azepanone #
Durethan bkv 30H
Durethan bkv 55H
Itamide 25
Itamide 35
Miramid H 2
Miramid wm 55
Torayca N 6
epsilon -caprolactam
Tarnamid T 27
azacycloheptan-2-one
Capran 77C
Capran 80
Plaskon 8201hs
Plaskon xp 607
Itamide 250
Itamide 250G
Itamide 350
Plaskon 201
Spencer 401
Spencer 601
azacycloheptane-2-one
Sipas 60
Itamid 250
Maranyl F 114
Maranyl F 124
Maranyl F 500
Nylon A1035sf
Plaskon 8202C
Capron gr 8256
Capron gr 8258
Plaskin 8200
Plaskon 8201
Plaskon 8205
Plaskon 8207
Plaskon 8252
6-CAPROLACTAN
Capron 8250
Capron 8252
Capron 8253
Capron 8256
Capron 8257
Nylon cm 1031
Zytel 211
?2-Oxohexamethylenimine
Amilan CM 1001C
Amilan CM 1001G
Amilan CM 1001
Amilan CM 1011
CAPROLACTAM [MI]
Dull 704
Nylon X 1051
CAPROLACTAM [HSDB]
ATM 2(NYLON)
bmse000372
epsilon-Caprolactam, 99%
6-Aminohexanoic acid lactam
Hexahydro-2H-azepine-2-one
SCHEMBL19610
9012-16-2
CHEMBL276218
PK 4
HEXAMETHYLENIMINE,2-OXO-
NIOSH/CM3900000
1,6-HEXALACTAM [FHFI]
UBE 1022B
NSC4977
2H-AZEPIN-2-ONE,HEXAHYDRO
NSC-4977
NSC25536
STR02412
Tox21_202202
Tox21_300163
c0432
MFCD19226350
NSC-25536
NSC117393
STK378587
AKOS000119969
CM 1001
CM 1011
CM 1031
CM 1041
MCULE-4544579564
epsilon-Caprolactam, analytical standard
NCGC00247913-01
NCGC00247913-02
NCGC00253933-01
NCGC00259751-01
AM802872
DB-003880
DB-032192
CM39000000
NS00008125
EN300-19667
A23500
C06593
D70254
Q409397
J-510225
F0001-0110
InChI=1/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8
Microorganism:

Yes

IUPAC nameazepan-2-one
SMILESC1CCC(=O)NCC1
InchiInChI=1S/C6H11NO/c8-6-4-2-1-3-5-7-6/h1-5H2,(H,7,8)
FormulaC6H11NO
PubChem ID7768
Molweight113.16
LogP-0.1
Atoms8
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationamides lactames nitrogen compounds
CHEBI-ID28579
Supernatural-IDSN0160970

mVOC Specific Details

Boiling Point
DegreeReference
270 °C peer reviewed
Volatilization
The Henry's Law constant for caprolactam is estimated as 5.4X10-11 atm-cu m/mole(SRC), calculated from its vapor pressure, 1.9X10-3 mm Hg at 25 deg C(1), and water solubility, 5.25X10+6 mg/l(2). This Henry's Law constant indicates that caprolactam is expected to be essentially nonvolatile from water surfaces(3). Caprolactam's estimated Henry's Law constant indicates that volatilization from moist soil surfaces will not occur(SRC). Caprolactam is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Jones AM; J Chem Eng Data 5: 196-200 (1960) (2) Loewengart G; pp. 36-52 in Proc Symp Ind Approach Chem Risk Assess: Caprolactam Relat Compd Case Study, Arlington, VA: Marriott-Crystal Gateway (1984) (2) Duke SO; Rev. Weed Sci 2:15-44 (1986) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for caprolactam is estimated to be 57(SRC). According to a classification scheme(2), this estimated Koc value suggests that caprolactam is expected to have high mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.9X10-3 mm Hg at 25 deg CJones AH; J Chem Eng Data 5: 196-200 (1960)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStenotrophomonas MaltophiliaclinicPreti et al. 2009
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStenotrophomonas MaltophiliaBlood agar/chocolate blood agaHS-SPME/GC-MS no