1-methyl-3-methylidenebicyclo[3.1.0]hexane

C8H12 — CID 90931570

IUPAC1-methyl-3-methylidenebicyclo[3.1.0]hexane
SMILESC=C1CC2CC2(C)C1
InChIInChI=1S/C8H12/c1-6-3-7-5-8(7,2)4-6/h7H,1,3-5H2,2H3
InChIKeyFHMIYUSTCPBSAQ-UHFFFAOYSA-N
MW108.18 g/mol
LogP2.36
Rot. Bonds

About 1-methyl-3-methylidenebicyclo[3.1.0]hexane

1-methyl-3-methylidenebicyclo[3.1.0]hexane (PubChem CID 90931570) has the molecular formula C8H12 and a molecular weight of 108.18 g/mol. Its IUPAC name is 1-methyl-3-methylidenebicyclo[3.1.0]hexane.

Molecular Properties

Compound Name1-methyl-3-methylidenebicyclo[3.1.0]hexane
PubChem CID90931570
Molecular FormulaC8H12
Molecular Weight108.18 g/mol
Exact Mass108.09
IUPAC Name1-methyl-3-methylidenebicyclo[3.1.0]hexane
SMILESC=C1CC2CC2(C)C1
InChIInChI=1S/C8H12/c1-6-3-7-5-8(7,2)4-6/h7H,1,3-5H2,2H3
InChIKeyFHMIYUSTCPBSAQ-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'}

Analyze 1-methyl-3-methylidenebicyclo[3.1.0]hexane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-methylidenebicyclo[3.1.0]hexane?
The IUPAC name of 1-methyl-3-methylidenebicyclo[3.1.0]hexane (CID 90931570) is 1-methyl-3-methylidenebicyclo[3.1.0]hexane.
What is the SMILES notation for 1-methyl-3-methylidenebicyclo[3.1.0]hexane?
The canonical SMILES for 1-methyl-3-methylidenebicyclo[3.1.0]hexane is C=C1CC2CC2(C)C1.
What is the InChIKey of 1-methyl-3-methylidenebicyclo[3.1.0]hexane?
The InChIKey is FHMIYUSTCPBSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12/c1-6-3-7-5-8(7,2)4-6/h7H,1,3-5H2,2H3.
What are the key properties of 1-methyl-3-methylidenebicyclo[3.1.0]hexane?
1-methyl-3-methylidenebicyclo[3.1.0]hexane 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 1-methyl-3-methylidenebicyclo[3.1.0]hexane is sourced from PubChem (CID 90931570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).