Services
Research
Training
Industry
About us
ChEBI
Examples:
iron*
,
InChI=1S/CH4O/c1-2/h2H,1H3
,
caffeine
Advanced
Home
Advanced Search
Browse
Documentation
Download
Tools
About ChEBI
Submit
Contact us
DiNA
Statistics
Entity of the Month
Periodic Table
Ontology
Train online
User Manual
Annotation Manual
Developer Manual
FAQ's
BiNChE
libChEBI
Web Services
ChEBI
> Main
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
Find compounds which contain this structure
Find compounds which resemble this structure
Take structure to the Advanced Search
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