Summary

IMPPAT Phytochemical identifier: IMPHY006532

Phytochemical name: Non-1-en-4-one

Synonymous chemical names:
1-nonen-4-one

External chemical identifiers:
CID:6428774, SureChEMBL:SCHEMBL176299

---

Chemical structure information

SMILES:
CCCCCC(=O)CC=C

InChI:
InChI=1S/C9H16O/c1-3-5-6-8-9(10)7-4-2/h4H,2-3,5-8H2,1H3

InChIKey:
WDBHYTAEQAWRCQ-UHFFFAOYSA-N

DeepSMILES:
CCCCCC=O)CC=C

Functional groups:
C=CC, CC(C)=O

---

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: 1.094

---

Chemical structure download