Summary

IMPPAT Phytochemical identifier: IMPHY017104

Phytochemical name: 2-Methylcyclopentanone

Synonymous chemical names:
2-methyl-cyclopentanone, methylcyclopentanone

External chemical identifiers:
CID:14265, SureChEMBL:SCHEMBL106582, MolPort-001-793-641

---

Chemical structure information

SMILES:
O=C1CCCC1C

InChI:
InChI=1S/C6H10O/c1-5-3-2-4-6(5)7/h5H,2-4H2,1H3

InChIKey:
ZIXLDMFVRPABBX-UHFFFAOYSA-N

DeepSMILES:
O=CCCCC5C

Functional groups:
CC(C)=O

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCCC1

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: 1.395

---

Chemical structure download