Summary

IMPPAT Phytochemical identifier: IMPHY009692

Phytochemical name: 2-Cyclopenten-1-one

Synonymous chemical names:
cyclopentenone

External chemical identifiers:
CID:13588, ChEMBL:CHEMBL52190, ChEBI:141550, ZINC:ZINC000095918567, FDASRS:Q0U2IGF9CK, SureChEMBL:SCHEMBL24628, MolPort-001-770-786

---

Chemical structure information

SMILES:
C1CC=CC1=O

InChI:
InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2

InChIKey:
BZKFMUIJRXWWQK-UHFFFAOYSA-N

DeepSMILES:
CCC=CC5=O

Functional groups:
O=C1C=CCC1

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CCC1

Scaffold Graph/Node level:
OC1CCCC1

Scaffold Graph level:
CC1CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP-Likeness score: 2.611

---

Chemical structure download