tricyclo[4.1.0.02,7]hept-1(7)-ene

C7H8 — CID 86007305

IUPACtricyclo[4.1.0.02,7]hept-1(7)-ene
SMILESC1CC2C3=C2C3C1
InChIInChI=1S/C7H8/c1-2-4-6-5(3-1)7(4)6/h4-5H,1-3H2
InChIKeyWEQQEMSUYPEIMZ-UHFFFAOYSA-N
MW92.14 g/mol
LogP1.73
Rot. Bonds

About tricyclo[4.1.0.02,7]hept-1(7)-ene

tricyclo[4.1.0.02,7]hept-1(7)-ene (PubChem CID 86007305) has the molecular formula C7H8 and a molecular weight of 92.14 g/mol. Its IUPAC name is tricyclo[4.1.0.02,7]hept-1(7)-ene.

Molecular Properties

Compound Nametricyclo[4.1.0.02,7]hept-1(7)-ene
PubChem CID86007305
Molecular FormulaC7H8
Molecular Weight92.14 g/mol
Exact Mass92.06
IUPAC Nametricyclo[4.1.0.02,7]hept-1(7)-ene
SMILESC1CC2C3=C2C3C1
InChIInChI=1S/C7H8/c1-2-4-6-5(3-1)7(4)6/h4-5H,1-3H2
InChIKeyWEQQEMSUYPEIMZ-UHFFFAOYSA-N
XLogP1.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.14
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze tricyclo[4.1.0.02,7]hept-1(7)-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-4-(4-methylcyclohexylidene)cyclohexane
CID 134993590
Tricyclo[4.1.0.02,7]hept-1-ene
CID 91435442
Tricyclo[4.1.0.02,4]hept-1(6)-ene
CID 123390029
1-Cyclohexylidene-4-methylcyclohexane
CID 123447046
(3R)-1-cyclohexylidene-3-methylcyclohexane
CID 163915369

Frequently Asked Questions

What is the IUPAC name of tricyclo[4.1.0.02,7]hept-1(7)-ene?
The IUPAC name of tricyclo[4.1.0.02,7]hept-1(7)-ene (CID 86007305) is tricyclo[4.1.0.02,7]hept-1(7)-ene.
What is the SMILES notation for tricyclo[4.1.0.02,7]hept-1(7)-ene?
The canonical SMILES for tricyclo[4.1.0.02,7]hept-1(7)-ene is C1CC2C3=C2C3C1.
What is the InChIKey of tricyclo[4.1.0.02,7]hept-1(7)-ene?
The InChIKey is WEQQEMSUYPEIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8/c1-2-4-6-5(3-1)7(4)6/h4-5H,1-3H2.
What are the key properties of tricyclo[4.1.0.02,7]hept-1(7)-ene?
tricyclo[4.1.0.02,7]hept-1(7)-ene has a molecular weight of 92.14 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tricyclo[4.1.0.02,7]hept-1(7)-ene is sourced from PubChem (CID 86007305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).