2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one (CHEBI:191895)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one

ChEBI ID	CHEBI:191895

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H15NO

Net Charge

Average Mass

177.247

Monoisotopic Mass

177.11536

InChI

InChI=1S/C11H15NO/c1-7-8(2)11(13)10-9(7)5-3-4-6-12-10/h3,5,7-8,12H,4,6H2,1-2H3

InChIKey

IWVJMIGICFUHHO-UHFFFAOYSA-N

SMILES

O=C1C(C(C2=C1NCCC=C2)C)C

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in blood serum (BTO:0000133). See: MetaboLights Study

ChEBI Ontology
Outgoing	2,3,6,7-Tetrahydro-6,7-dimethylcyclopent[b]azepin-8(1H)-one (CHEBI:191895) is a azepine (CHEBI:48105)

IUPAC Name

6,7-dimethyl-2,3,6,7-tetrahydro-1H-cyclopenta[b]azepin-8-one