5-methylbicyclo[4.1.0]hept-1-ene

C8H12 — CID 123971358

IUPAC5-methylbicyclo[4.1.0]hept-1-ene
SMILESCC1CCC=C2CC21
InChIInChI=1S/C8H12/c1-6-3-2-4-7-5-8(6)7/h4,6,8H,2-3,5H2,1H3
InChIKeyBXQQIDGRBDSKJQ-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds

About 5-methylbicyclo[4.1.0]hept-1-ene

5-methylbicyclo[4.1.0]hept-1-ene (PubChem CID 123971358) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 5-methylbicyclo[4.1.0]hept-1-ene.

Molecular Properties

Compound Name5-methylbicyclo[4.1.0]hept-1-ene
PubChem CID123971358
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name5-methylbicyclo[4.1.0]hept-1-ene
SMILESCC1CCC=C2CC21
InChIInChI=1S/C8H12/c1-6-3-2-4-7-5-8(6)7/h4,6,8H,2-3,5H2,1H3
InChIKeyBXQQIDGRBDSKJQ-UHFFFAOYSA-N
XLogP2.36
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.18
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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(5R)-bicyclo[3.2.0]hept-1-ene
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1-methoxy-5,6-dimethylcyclohexene
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CID 90876325
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CID 520362

Frequently Asked Questions

What is the IUPAC name of 5-methylbicyclo[4.1.0]hept-1-ene?
The IUPAC name of 5-methylbicyclo[4.1.0]hept-1-ene (CID 123971358) is 5-methylbicyclo[4.1.0]hept-1-ene.
What is the SMILES notation for 5-methylbicyclo[4.1.0]hept-1-ene?
The canonical SMILES for 5-methylbicyclo[4.1.0]hept-1-ene is CC1CCC=C2CC21.
What is the InChIKey of 5-methylbicyclo[4.1.0]hept-1-ene?
The InChIKey is BXQQIDGRBDSKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-6-3-2-4-7-5-8(6)7/h4,6,8H,2-3,5H2,1H3.
What are the key properties of 5-methylbicyclo[4.1.0]hept-1-ene?
5-methylbicyclo[4.1.0]hept-1-ene has a molecular weight of 108.18 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylbicyclo[4.1.0]hept-1-ene is sourced from PubChem (CID 123971358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).