Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID001859

Phytochemical name: trans-2-Pentenal

Synonymous chemical names:
e-2-pentenal, (e)-pent-2-enal, (e)-2-pentenal, (e)-2-pentenai

External chemical identifiers:
CID:CID_5364752, ChEMBL:CHEMBL256368, ChEBI:CHEBI:156100, ZINC:ZINC000002031161, FDASRS:7A4R3CQA2T, SureChEMBL:SCHEMBL262487, MolPort-001-792-167

---

Chemical structure information

SMILES:
CC/C=C/C=O

InChI:
InChI=1S/C5H8O/c1-2-3-4-5-6/h3-5H,2H2,1H3/b4-3+

InChIKey:
DTCCTIQRPGSLPT-ONEGZZNKSA-N

DeepSMILES:
CC/C=C/C=O

Functional groups:
C/C=C/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: Fatty aldehydes

NP-Likeness score: 2.703

---

Chemical structure download