2-methylbicyclo[4.1.0]hept-2-ene

C8H12 — CID 13347991

IUPAC2-methylbicyclo[4.1.0]hept-2-ene
SMILESCC1=CCCC2CC12
InChIInChI=1S/C8H12/c1-6-3-2-4-7-5-8(6)7/h3,7-8H,2,4-5H2,1H3
InChIKeyLNBRNPLKNDOWQF-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds

About 2-methylbicyclo[4.1.0]hept-2-ene

2-methylbicyclo[4.1.0]hept-2-ene (PubChem CID 13347991) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 2-methylbicyclo[4.1.0]hept-2-ene.

Molecular Properties

Compound Name2-methylbicyclo[4.1.0]hept-2-ene
PubChem CID13347991
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name2-methylbicyclo[4.1.0]hept-2-ene
SMILESCC1=CCCC2CC12
InChIInChI=1S/C8H12/c1-6-3-2-4-7-5-8(6)7/h3,7-8H,2,4-5H2,1H3
InChIKeyLNBRNPLKNDOWQF-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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Frequently Asked Questions

What is the IUPAC name of 2-methylbicyclo[4.1.0]hept-2-ene?
The IUPAC name of 2-methylbicyclo[4.1.0]hept-2-ene (CID 13347991) is 2-methylbicyclo[4.1.0]hept-2-ene.
What is the SMILES notation for 2-methylbicyclo[4.1.0]hept-2-ene?
The canonical SMILES for 2-methylbicyclo[4.1.0]hept-2-ene is CC1=CCCC2CC12.
What is the InChIKey of 2-methylbicyclo[4.1.0]hept-2-ene?
The InChIKey is LNBRNPLKNDOWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-6-3-2-4-7-5-8(6)7/h3,7-8H,2,4-5H2,1H3.
What are the key properties of 2-methylbicyclo[4.1.0]hept-2-ene?
2-methylbicyclo[4.1.0]hept-2-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 2-methylbicyclo[4.1.0]hept-2-ene is sourced from PubChem (CID 13347991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).