Summary

IMPPAT Phytochemical identifier: IMPHY012569

Phytochemical name: Non-2-en-4-one

Synonymous chemical names:
2-nonen-4-one, non-2-en-4-one

External chemical identifiers:
CID:448996, ChEBI:167396, FDASRS:788PND12T8, SureChEMBL:SCHEMBL1420380

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Chemical structure information

SMILES:
CCCCCC(=O)/C=C/C

InChI:
InChI=1S/C9H16O/c1-3-5-6-8-9(10)7-4-2/h4,7H,3,5-6,8H2,1-2H3/b7-4+

InChIKey:
WTAYWTBOEQYGOG-QPJJXVBHSA-N

DeepSMILES:
CCCCCC=O)/C=C/C

Functional groups:
C/C=C/C(C)=O

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: 1.464

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Chemical structure download