CHEBI:149781 - 3-acetylazepan-2-one

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-acetylazepan-2-one
ChEBI ID CHEBI:149781
Definition A member of the class of caprolactams that is ε-caprolactam which carries an acetyl group at position 3.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Mark Williams
Supplier Information
Download Molfile XML SDF
Formula C8H13NO2
Net Charge 0
Average Mass 155.197
Monoisotopic Mass 155.09463
InChI InChI=1S/C8H13NO2/c1-6(10)7-4-2-3-5-9-8(7)11/h7H,2-5H2,1H3,(H,9,11)
InChIKey ASTAFWNFKJWCLV-UHFFFAOYSA-N
SMILES O=C1NCCCCC1C(=O)C
ChEBI Ontology
Outgoing 3-acetylazepan-2-one (CHEBI:149781) has functional parent ε-caprolactam (CHEBI:28579)
3-acetylazepan-2-one (CHEBI:149781) is a caprolactams (CHEBI:23000)
IUPAC Name
3-acetylazepan-2-one
Synonym Source
acetyl caprolactam ChEBI
Registry Number Type Source
948314-52-1 CAS Registry Number ChEBI
Last Modified
21 May 2020