Summary

IMPPAT Phytochemical identifier: IMPHY016253

Phytochemical name: 2-Methyl-2-cyclopenten-1-one

Synonymous chemical names:
2-methyl-2-cyclopentenone

External chemical identifiers:
CID:14266, ChEMBL:CHEMBL4097891, ZINC:ZINC000096300864, FDASRS:N5S7BLT3Q9, SureChEMBL:SCHEMBL160163, MolPort-003-661-909

---

Chemical structure information

SMILES:
O=C1CCC=C1C

InChI:
InChI=1S/C6H8O/c1-5-3-2-4-6(5)7/h3H,2,4H2,1H3

InChIKey:
ZSBWUNDRDHVNJL-UHFFFAOYSA-N

DeepSMILES:
O=CCCC=C5C

Functional groups:
CC1=CCCC1=O

---

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: 2.211

---

Chemical structure download