allyl cyanide (CHEBI:183063)

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ChEBI Name	allyl cyanide

ChEBI ID	CHEBI:183063

Definition	An aliphatic nitrile that is hydrogen cyanide in which the hydrogen has been replaced by an allyl group.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Kristian Axelsen

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Formula

C4H5N

Net Charge

Average Mass

67.091

Monoisotopic Mass

67.04220

InChI

InChI=1S/C4H5N/c1-2-3-4-5/h2H,1,3H2

InChIKey

SJNALLRHIVGIBI-UHFFFAOYSA-N

SMILES

C=CCC#N

Roles Classification
Biological Role(s):	neurotoxin A poison that interferes with the functions of the nervous system. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.

Application(s):	antifeedant A substance that prevents pests from feeding.

ChEBI Ontology
Outgoing	allyl cyanide (CHEBI:183063) has role antifeedant (CHEBI:22583) allyl cyanide (CHEBI:183063) has role neurotoxin (CHEBI:50910) allyl cyanide (CHEBI:183063) has role plant metabolite (CHEBI:76924) allyl cyanide (CHEBI:183063) is a aliphatic nitrile (CHEBI:80291) allyl cyanide (CHEBI:183063) is a olefinic compound (CHEBI:78840)

IUPAC Name

but-3-enenitrile

Last Modified

25 November 2021