Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004892

Phytochemical name: 2-Methyl-5-hexenenitrile

Synonymous chemical names:
2-methyl 5-hexenenitrile

External chemical identifiers:
CID:CID_543258, SureChEMBL:SCHEMBL3112305, MolPort-022-364-557

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Chemical structure information

SMILES:
CC(C#N)CCC=C

InChI:
InChI=1S/C7H11N/c1-3-4-5-7(2)6-8/h3,7H,1,4-5H2,2H3

InChIKey:
WSLQODBTEPJISE-UHFFFAOYSA-N

DeepSMILES:
CCC#N))CCC=C

Functional groups:
CC#N, C=CC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Organic cyanides

NP-Likeness score: -0.304

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Chemical structure download