Summary

IMPPAT Phytochemical identifier: IMPHY017723

Phytochemical name: 2,4-Pentadienenitrile

Synonymous chemical names:
2,4-pentadiene nitrile

External chemical identifiers:
CID:74170

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Chemical structure information

SMILES:
C=CC=CC#N

InChI:
InChI=1S/C5H5N/c1-2-3-4-5-6/h2-4H,1H2

InChIKey:
STSRVFAXSLNLLI-UHFFFAOYSA-N

DeepSMILES:
C=CC=CC#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-Likeness score: 1.822

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Chemical structure download