Summary

IMPPAT Phytochemical identifier: IMPHY016260

Phytochemical name: 2-Methyl-4-pentenal

Synonymous chemical names:
2-methyl-4-pentenal

External chemical identifiers:
CID:521355, ChEBI:173330, SureChEMBL:SCHEMBL548844, MolPort-005-939-109

---

Chemical structure information

SMILES:
C=CCC(C=O)C

InChI:
InChI=1S/C6H10O/c1-3-4-6(2)5-7/h3,5-6H,1,4H2,2H3

InChIKey:
RCQKLWAPRHHRNN-UHFFFAOYSA-N

DeepSMILES:
C=CCCC=O))C

Functional groups:
C=CC, CC=O

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organic oxides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty aldehydes

NP-Likeness score: 1.807

---

Chemical structure download