Summary

IMPPAT Phytochemical identifier: IMPHY017016

Phytochemical name: 5-Hexenenitrile

Synonymous chemical names:
5-hexenenitrile

External chemical identifiers:
CID:123222, ZINC:ZINC000002539655, SureChEMBL:SCHEMBL150327

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Chemical structure information

SMILES:
C=CCCCC#N

InChI:
InChI=1S/C6H9N/c1-2-3-4-5-6-7/h2H,1,3-5H2

InChIKey:
UNAQSRLBVVDYGP-UHFFFAOYSA-N

DeepSMILES:
C=CCCCC#N

Functional groups:
C=CC, CC#N

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Organic cyanides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.544

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Chemical structure download