Summary

IMPPAT Phytochemical identifier: IMPHY017965

Phytochemical name: Bicyclo[4.1.0]heptane

Synonymous chemical names:
bicyclo[4.1.0]heptane

Chemical structure information

SMILES:
C1CCC2C(C1)C2

InChI:
InChI=1S/C7H12/c1-2-4-7-5-6(7)3-1/h6-7H,1-5H2

InChIKey:
WPHGSKGZRAQSGP-UHFFFAOYSA-N

DeepSMILES:
CCCCCC6)C3

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCC2CC2C1

Scaffold Graph/Node level:
C1CCC2CC2C1

Scaffold Graph level:
C1CCC2CC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Hydrocarbons

ClassyFire Class: Polycyclic hydrocarbons

NP Classifier Biosynthetic pathway: Fatty acids

NP-Likeness score: 0.855

---

Chemical structure download