5-allyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (CHEBI:190636)

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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	5-allyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile

ChEBI ID	CHEBI:190636

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H12N2O

Net Charge

Average Mass

188.230

Monoisotopic Mass

188.09496

InChI

InChI=1S/C11H12N2O/c1-4-5-9-7(2)10(6-12)11(14)13-8(9)3/h4H,1,5H2,2-3H3,(H,13,14)

InChIKey

FHDSHCANNCYFSK-UHFFFAOYSA-N

SMILES

O=C1NC(=C(C(=C1C#N)C)CC=C)C

Metabolite of Species	Details
Rattus norvegicus (NCBI:txid10116)	Found in liver (BTO:0000759). See: MetaboLights Study

ChEBI Ontology
Outgoing	5-allyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (CHEBI:190636) is a nitrile (CHEBI:18379) 5-allyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile (CHEBI:190636) is a pyridines (CHEBI:26421)

IUPAC Name

4,6-dimethyl-2-oxo-5-prop-2-enyl-1H-pyridine-3-carbonitrile