2-methylbicyclo[3.1.0]hex-1-ene

C7H10 — CID 147763596

IUPAC2-methylbicyclo[3.1.0]hex-1-ene
SMILESCC1=C2CC2CC1
InChIInChI=1S/C7H10/c1-5-2-3-6-4-7(5)6/h6H,2-4H2,1H3
InChIKeyLYVDTZLDFRHQFB-UHFFFAOYSA-N
MW94.16 g/mol
LogP2.12
Rot. Bonds

About 2-methylbicyclo[3.1.0]hex-1-ene

2-methylbicyclo[3.1.0]hex-1-ene (PubChem CID 147763596) has the molecular formula C7H10 and a molecular weight of 94.16 g/mol. Its IUPAC name is 2-methylbicyclo[3.1.0]hex-1-ene.

Molecular Properties

Compound Name2-methylbicyclo[3.1.0]hex-1-ene
PubChem CID147763596
Molecular FormulaC7H10
Molecular Weight94.16 g/mol
Exact Mass94.08
IUPAC Name2-methylbicyclo[3.1.0]hex-1-ene
SMILESCC1=C2CC2CC1
InChIInChI=1S/C7H10/c1-5-2-3-6-4-7(5)6/h6H,2-4H2,1H3
InChIKeyLYVDTZLDFRHQFB-UHFFFAOYSA-N
XLogP2.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50094.16
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-methylbicyclo[3.1.0]hex-1-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

2-Methyl-bicyclo[3.1.0]hex-2-ene
CID 13235329
3-Methylbicyclo[3.1.0]hex-2-ene
CID 13235330
3,6-Dimethylbicyclo[3.1.0]hex-2-ene
CID 13611194
3-Methyl-2-propan-2-ylbicyclo[3.1.0]hex-2-ene
CID 20259158
2-Methylbicyclo[2.1.0]pent-1-ene
CID 54205730
(1R,5S,6S)-2,6-dimethylbicyclo[3.1.0]hex-2-ene
CID 54363159
3-Methyl-2-propan-2-ylbicyclo[3.1.0]hex-1-ene
CID 57043752
2-Ethylbicyclo[2.1.0]pent-1-ene
CID 91509782
2-Methylbicyclo[3.1.0]hex-1(5)-ene
CID 123248572
3,4-Dimethylhept-3-enylcyclopropane
CID 123631272
6-Methylbicyclo[3.1.0]hex-1(5)-ene
CID 123678014
2,3-Dimethylbicyclo[2.1.0]pent-2-ene
CID 123715009

Frequently Asked Questions

What is the IUPAC name of 2-methylbicyclo[3.1.0]hex-1-ene?
The IUPAC name of 2-methylbicyclo[3.1.0]hex-1-ene (CID 147763596) is 2-methylbicyclo[3.1.0]hex-1-ene.
What is the SMILES notation for 2-methylbicyclo[3.1.0]hex-1-ene?
The canonical SMILES for 2-methylbicyclo[3.1.0]hex-1-ene is CC1=C2CC2CC1.
What is the InChIKey of 2-methylbicyclo[3.1.0]hex-1-ene?
The InChIKey is LYVDTZLDFRHQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10/c1-5-2-3-6-4-7(5)6/h6H,2-4H2,1H3.
What are the key properties of 2-methylbicyclo[3.1.0]hex-1-ene?
2-methylbicyclo[3.1.0]hex-1-ene has a molecular weight of 94.16 g/mol, XLogP of 2.12, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbicyclo[3.1.0]hex-1-ene is sourced from PubChem (CID 147763596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).