Results for:
chemical Classification: pyrrole

1H-pyrrole

Mass-Spectra

Compound Details

Synonymous names
Divinyleneimine
Divinylenimine
Monopyrrole
polypyrrole
KAESVJOAVNADME-UHFFFAOYSA-N
Pyrroles
Imidole
PYROLLE
Pyrrol
PYRROLE
Azole
Pyrrole, analytical standard
1H-Pyrrole
AC1L1Q3I
AC1Q4W0S
Pyrrole, Extra Pure
1H-Pyrrole, homopolymer
1-H-pyrrole
KSC176A1D
S069
CHEMBL16225
PubChem16729
WLN: T5MJ
1H-Pyrrole, potassium salt
86S1ZD6L2C
CTK0H6011
HSDB 119
P0574
QSPL 001
NSC62777
NSC72470
RP18279
STR00296
C19907
CCRIS 2933
UNII-86S1ZD6L2C
BBL011520
DTXSID5021910
HE027302
HE087158
HE294990
HE325913
HE333615
STL146636
1H-pyrrol-1-yl
A802120
CHEBI:19203
DSSTox_CID_1910
ZINC1691362
1-Aza-2,4-cyclopentadiene
AN-42975
ANW-16117
BP-21154
DSSTox_GSID_21910
NSC 62777
NSC-72470
SC-16214
TRA0015148
ACMC-209953
BB_SC-7205
MFCD00005216
Pyrrole, reagent grade, 98%
ZINC01691362
AI3-18817
DB-003771
LS-136523
RTR-002106
TR-002106
AKOS000120094
Epitope ID:136031
Q-100054
S05-0168
FEMA No. 3386
FT-0659051
AZ0001-0072
Tox21_303910
109-97-7
F2190-0643
Pyrrole, 98% 50g
Z1245735179
Pyrrole, >=98%, FCC, FG
MCULE-7417495535
NCGC00357161-01
CAS-109-97-7
EINECS 203-724-7
EINECS 240-327-8
21995-14-2
30604-81-0
45361-50-0
5727-EP0930075A1
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MolPort-001-766-665
1201695-24-0
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96735-EP2305643A1
InChI=1/C4H5N/c1-2-4-5-3-1/h1-5
IUPAC name1H-pyrrole
SMILESC1=CNC=C1
InchiInChI=1S/C4H5N/c1-2-4-5-3-1/h1-5H
FormulaC4H5N
PubChem ID8027
Molweight67.091
LogP1.05
Atoms10
Bonds10
H-bond Acceptor0
H-bond Donor1
Chemical Classificationpyrrole pyrroles nitrogen containing compounds nitrogen compounds

mVOC Specific Details

Boiling Point
DegreeReference
129.7 deg CLide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press Inc., 1995-1996., p. 3-304
Volatilization
The Henry's Law constant for pyrrole is 1.8X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that pyrrole is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as approximately 42 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as approximately 368 hours(SRC). Pyrrole's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of pyrrole from dry soil surfaces may exist(SRC) based upon a vapor pressure of 8.35 mm Hg(3).
Literature: (1) Hawthorne SB et al; Environ Sci Technol 19: 922-7 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng NY,NY: Hemisphere Pub Corp 5 Vol (1987)
Soil Adsorption
The Koc of pyrrole is estimated as approximately 61(SRC), using a log Kow of 0.75(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that pyrrole is expected to have high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, And Steric Constants. ACS Prof Ref Book. Washington,DC: Amer Chem Soc p. 8 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
8.35 mm Hg @ 25 dec CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
FungiPleurotus CystidiosusnanaUsami et al., 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Fungivorans Ter331Headspace trapping/GC-MS
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
FungiPleurotus CystidiosusnaGC/MS, GC-O, AEDANo


1-(1H-pyrrol-2-yl)ethanone

Mass-Spectra

Compound Details

Synonymous names
IGJQUJNPMOYEJY-UHFFFAOYSA-N
2-Pyrrolylethanone
2-ACETYLPYRROLE
Pyrrole-alpha-methyl ketone
PYRROLE-B-METHYL KETONE
2-Acetylpyrrole, analytical standard
2-acetyl pyrrole
2-acetyl-pyrrole
2-Pyrrolyl methyl ketone
Methyl 2-pyrrolyl ketone
methyl-2-pyrrolyl ketone
Methyl 2-pyrryl ketone
AC1L232Z
KSC491I9B
L153
ACMC-1C1H0
PubChem20915
9K28W7PM6N
A0894
acetylpyrrole, 2-
CTK3J1490
Methyl pyrrol-2-yl ketone
Pyrrole-.alpha.-methyl ketone
Pyrrole, 2-acetyl
SPECTRUM240422
2-Acetyl-1H-pyrrole
AM90575
NSC42861
RP00471
SCHEMBL150349
CCRIS 6778
UNII-9K28W7PM6N
ZINC153027
BBL010104
BS-3734
CHEMBL1414126
DTXSID0047084
HE000210
HE093051
SBB066752
SCHEMBL8153085
STK801458
ZB005320
CHEBI:59981
K-0562
Ketone, methyl pyrrol-2-yl
1H-Pyrrole, 2-acetyl
AB1001979
AJ-12875
AK-53458
AN-19674
ANW-15507
BSPBio_003593
CCG-39485
CJ-01218
DSSTox_GSID_47084
KB-08031
LS-87323
NSC 42861
NSC-42861
SC-25927
ST2414914
TRA0079648
BB_SC-4064
DSSTox_CID_27084
DSSTox_RID_82096
MFCD00005220
SPBio_002051
Spectrum2_001956
Spectrum3_001993
RTC-020271
TC-020271
AKOS000120308
Epitope ID:136036
I11-0039
KBio3_003031
Q-200225
Z56899162
BRN 0001882
FEMA No. 3202
FT-0610982
Tox21_300952
F8889-9291
2-Acetylpyrrole, ReagentPlus(R), 99%
1-(1H-Pyrrol-2-yl)ethanone
1-(2-Pyrrolyl)-1-ethanone
1072-83-9
MCULE-8111376055
Methyl 2-pyrrolyl ketone, >=98%, FG
NCGC00095914-01
NCGC00095914-02
NCGC00095914-03
NCGC00254854-01
EINECS 214-016-2
SDCCGMLS-0066967.P001
1-(1H-Pyrrol-2-yl)ethanone #
1-(1H-pyrrole-2-yl)-ethanone
CAS-1072-83-9
1-(1h-pyrrol-2-yl)-ethanone
2-Acetylpyrrole, Vetec(TM) reagent grade, 98%
MolPort-000-141-759
1-(1H-pyrrol-2-yl)1-ethanone
AI-942/25034253
1-(1H-Pyrrol-2-yl)ethan-1-one
Ethanone, 1-(1H-pyrrole-2-yl)-
Ethanone, 1-(1H-pyrrol-2-yl)-
5-21-07-00204 (Beilstein Handbook Reference)
InChI=1/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H
IUPAC name1-(1H-pyrrol-2-yl)ethanone
SMILESCC(=O)C1=CC=CN1
InchiInChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
FormulaC6H7NO
PubChem ID14079
Molweight109.128
LogP0.53
Atoms15
Bonds15
H-bond Acceptor1
H-bond Donor1
Chemical Classificationpyrroles ketones nitrogen containing compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Penicillium RoquefortiBrock and Dickschat 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Penicillium Roquefortino