Summary

IMPPAT Phytochemical identifier: IMPHY017078

Phytochemical name: Cyclopentene, 1-heptyl-

Synonymous chemical names:
1-hepthyl-1-cyclopentene

External chemical identifiers:
CID:138181, SureChEMBL:SCHEMBL9205180

---

Chemical structure information

SMILES:
CCCCCCCC1=CCCC1

InChI:
InChI=1S/C12H22/c1-2-3-4-5-6-9-12-10-7-8-11-12/h10H,2-9,11H2,1H3

InChIKey:
FALRQTIXQCGLJF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCC=CCCC5

Functional groups:
CC=C(C)C

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CCCC1

Scaffold Graph/Node level:
C1CCCC1

Scaffold Graph level:
C1CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Unsaturated hydrocarbons

ClassyFire Subclass: Branched unsaturated hydrocarbons

NP-Likeness score: 0.49

---

Chemical structure download