Methyl 2-cyano-3-(dimethylamino)acrylate (CHEBI:167772)

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CHEBI:167772 - Methyl 2-cyano-3-(dimethylamino)acrylate

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ChEBI ID	CHEBI:167772
ChEBI Name	Methyl 2-cyano-3-(dimethylamino)acrylate
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C7H10N2O2
Net Charge	0
Average Mass	154.169
Monoisotopic Mass	154.07423
SMILES	COC(=O)/C(C#N)=C/N(C)C
InChI	InChI=1S/C7H10N2O2/c1-9(2)5-6(4-8)7(10)11-3/h5H,1-3H3/b6-5+
InChIKey	HWBIEDPFULRCDP-AATRIKPKSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	blood serum (BTO:0000133)	MetaboLights (MTBLS2542)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	Methyl 2-cyano-3-(dimethylamino)acrylate (CHEBI:167772) is a enamine (CHEBI:47989)
	Methyl 2-cyano-3-(dimethylamino)acrylate (CHEBI:167772) is a enone (CHEBI:51689)

IUPAC Name
methyl (E)-2-cyano-3-(dimethylamino)prop-2-enoate

Manual Xrefs	Databases
2013944	ChemSpider