CHEBI:59981 - 2-acetylpyrrole

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ChEBI Name 2-acetylpyrrole ChEBI ID CHEBI:59981 Definition A pyrrole carrying an acetyl substituent at the 2-position. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C6H7NO Net Charge 0 Average Mass 109.12590 Monoisotopic Mass 109.05276 InChI InChI=1S/C6H7NO/c1-5(8)6-3-2-4-7-6/h2-4,7H,1H3 InChIKey IGJQUJNPMOYEJY-UHFFFAOYSA-N SMILES CC(=O)c1ccc[nH]1 ChEBI Ontology Outgoing 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 Sources 1-(1H-pyrrol-2-yl)1-ethanone NIST Chemistry WebBook 1-(1H-Pyrrol-2-yl)ethan-1-one ChemIDplus 1-(1H-Pyrrol-2-yl)ethanone ChemIDplus 1-(1H-pyrrole-2-yl)-ethanone NIST Chemistry WebBook 1-(2-Pyrrolyl)-1-ethanone ChemIDplus 2-Acetyl-1H-pyrrole ChemIDplus 2-Pyrrolyl methyl ketone ChemIDplus 2-Pyrrolylethanone ChemIDplus Methyl pyrrol-2-yl ketone ChemIDplus Pyrrole-α-methyl ketone NIST Chemistry WebBook Registry Numbers Types Sources 1072-83-9 CAS Registry Number ChemIDplus 1072-83-9 CAS Registry Number NIST Chemistry WebBook 1882 Beilstein Registry Number Beilstein 1882 Reaxys Registry Number Reaxys 50167 Gmelin Registry Number Gmelin Citations Types Sources 23933556 PubMed citation Europe PMC 2917974 PubMed citation Europe PMC 3542764 PubMed citation Europe PMC Last Modified 24 August 2017