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CHEBI:59981 - 2-acetylpyrrole

Default Structure
ChEBI IDCHEBI:59981
ChEBI Name2-acetylpyrrole
Stars
DefinitionA pyrrole carrying an acetyl substituent at the 2-position.
Last Modified24 August 2017
SubmitterSteve
DownloadsMolfile
FormulaC6H7NO
Net Charge0
Average Mass109.128
Monoisotopic Mass109.05276
SMILESCC(=O)c1cccn1
InChIInChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3
InChIKeyIGJQUJNPMOYEJY-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-acetylpyrrole (CHEBI:59981) is a aromatic ketone (CHEBI:76224)
2-acetylpyrrole (CHEBI:59981) is a methyl ketone (CHEBI:51867)
2-acetylpyrrole (CHEBI:59981) is a pyrroles (CHEBI:26455)
Synonyms  Source
1-(1H-pyrrol-2-yl)1-ethanoneNIST Chemistry WebBook
1-(1H-Pyrrol-2-yl)ethan-1-oneChemIDplus
1-(1H-Pyrrol-2-yl)ethanoneChemIDplus
1-(1H-pyrrole-2-yl)-ethanoneNIST Chemistry WebBook
1-(2-Pyrrolyl)-1-ethanoneChemIDplus
2-Acetyl-1H-pyrroleChemIDplus
Registry NumbersSources
Reaxys:1882Reaxys
Gmelin:50167Gmelin
CAS:1072-83-9ChemIDplus
CAS:1072-83-9NIST Chemistry WebBook
Citations