Summary

IMPPAT Phytochemical identifier: IMPHY015637

Phytochemical name: 3-Nonen-2-one

Synonymous chemical names:
(e)-3-nonen-2-one, 3-nonen-2-one

External chemical identifiers:
CID:5317045, ChEBI:133457, ZINC:ZINC000100004352, FDASRS:FR0K39OF16, SureChEMBL:SCHEMBL159644, MolPort-003-928-807

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Chemical structure information

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

InChI:
InChI=1S/C9H16O/c1-3-4-5-6-7-8-9(2)10/h7-8H,3-6H2,1-2H3/b8-7+

InChIKey:
HDKLIZDXVUCLHQ-BQYQJAHWSA-N

DeepSMILES:
CCCCC/C=C/C=O)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: 1.775

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Chemical structure download