(Q27127005)

2-ACETYLPYRROLE (English)

6 October 2016

chemical formula

C₆H₇NO

1 reference

2-ACETYLPYRROLE (English)

6 October 2016

canonical SMILES

CC(=O)C1=CC=CN1

1 reference

2-ACETYLPYRROLE (English)

6 October 2016

melting point

90 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Coffea arabica

1 reference

New volatile components of roasted coffee

Chinese peony

1 reference

"Essential oil constituents of \"PAEONIAE RADIX\" Peaonia lactiflora Pall. (P. albilora Pall.)."

Glehnia littoralis

1 reference

Aroma Constituents of Medicinal Herb of Umbelliferae (Byakushi, Hamabofu)

liquorice

1 reference

Volatile flavor components of licorice

Scutellaria baicalensis

1 reference

Essential oil of Scutellaria baicalensis G.

Streptomyces

2 references

2-Acetylpyrrole, a Hepatoprotective Compound from Streptomyces sp. A-5071.

Streptomyces sp. MUM273b: A mangrove-derived potential source for antioxidant and UVB radiation protectants

cacao

1 reference

Steam volatile aroma constituents of roasted cocoa beans

Panax ginseng

1 reference

Determination of volatile organic compounds generated from fresh, white and red Panax ginseng (C. A. Meyer) using a direct sample injection technique

Allium cepa

1 reference

Influence of Pickling Process on and Metabolome as Determined Mass Spectrometry-Based Metabolomics

Nicotiana tabacum

2 references

Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves

Toxicological evaluation of aerosols of a tobacco extract formulation and nicotine formulation in acute and short-term inhalation studies

Capparis spinosa

1 reference

Nematicidal activity of 2-thiophenecarboxaldehyde and methylisothiocyanate from caper (Capparis spinosa) against Meloidogyne incognita

Identifiers

InChI

InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3

1 reference

2-ACETYLPYRROLE (English)

6 October 2016

2 references

2-ACETYLPYRROLE (English)

6 October 2016

ChEBI release 2020-09-01

2 references

2-acetylpyrrole (English)

6 October 2016

https://commonchemistry.cas.org/detail?cas_rn=1072-83-9

9 April 2021

1 reference

2-Acetyl-1H-pyrrole (English)

6 October 2016

2 references

2-ACETYLPYRROLE (English)

6 October 2016

Reaxys registry number

1882

1 reference

2-acetylpyrrole (English)

6 October 2016

Gmelin number

50167

0 references

ChEBI ID

59981

mapping relation type

2 references

2-acetylpyrrole (English)

6 October 2016

International Chemical Identifier

InChI

InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3

1 reference

2-ACETYLPYRROLE (English)

6 October 2016

2 references

inferred from InChIKey

splash10-052f-9200000000-2bc5864091cc4cf9f404

1 reference

0 references

NMRShiftDB structure ID

10022821

1 reference

DSSTox substance ID

DTXSID0047084

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

1 reference

Global Substance Registration System

UNII

9K28W7PM6N

2-ACETYLPYRROLE (English)

ECHA Substance Infocard ID

6 October 2016

100.012.743

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.012.743

27 December 2018

Human Metabolome Database ID

1-(1H-pyrrol-2-yl)ethan-1-one (English)

quotation

CAS no.: 1072-83-9 (English)

FL number

14.047

1 reference

quotation

CAS no.: 1072-83-9 (English)

23 January 2021

14.047

HMDB0035882

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00029449

2 references

based on heuristic

inferred from InChIKey

UNII

9K28W7PM6N

2 references

Global Substance Registration System

UNII

9K28W7PM6N

2-ACETYLPYRROLE (English)

6 October 2016

Immune Epitope Database and Analysis Resource

0 references

1 reference

IEDB Epitope ID

136036

Google Knowledge Graph ID

1 March 2022

/g/11hdf876_7

0 references

JECFA number

1307

1 reference

Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)