1,3-dimethylbicyclo[2.1.0]pentane

C7H12 — CID 91176619

IUPAC1,3-dimethylbicyclo[2.1.0]pentane
SMILESCC1CC2(C)CC12
InChIInChI=1S/C7H12/c1-5-3-7(2)4-6(5)7/h5-6H,3-4H2,1-2H3
InChIKeyRFZNBPMLLJGPPD-UHFFFAOYSA-N
MW96.17 g/mol
LogP2.05
Rot. Bonds

About 1,3-dimethylbicyclo[2.1.0]pentane

1,3-dimethylbicyclo[2.1.0]pentane (PubChem CID 91176619) has the molecular formula C7H12 and a molecular weight of 96.17 g/mol. Its IUPAC name is 1,3-dimethylbicyclo[2.1.0]pentane.

Molecular Properties

Compound Name1,3-dimethylbicyclo[2.1.0]pentane
PubChem CID91176619
Molecular FormulaC7H12
Molecular Weight96.17 g/mol
Exact Mass96.09
IUPAC Name1,3-dimethylbicyclo[2.1.0]pentane
SMILESCC1CC2(C)CC12
InChIInChI=1S/C7H12/c1-5-3-7(2)4-6(5)7/h5-6H,3-4H2,1-2H3
InChIKeyRFZNBPMLLJGPPD-UHFFFAOYSA-N
XLogP2.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.17
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1,3-dimethylbicyclo[2.1.0]pentane 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 1,3-dimethylbicyclo[2.1.0]pentane?
The IUPAC name of 1,3-dimethylbicyclo[2.1.0]pentane (CID 91176619) is 1,3-dimethylbicyclo[2.1.0]pentane.
What is the SMILES notation for 1,3-dimethylbicyclo[2.1.0]pentane?
The canonical SMILES for 1,3-dimethylbicyclo[2.1.0]pentane is CC1CC2(C)CC12.
What is the InChIKey of 1,3-dimethylbicyclo[2.1.0]pentane?
The InChIKey is RFZNBPMLLJGPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12/c1-5-3-7(2)4-6(5)7/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,3-dimethylbicyclo[2.1.0]pentane?
1,3-dimethylbicyclo[2.1.0]pentane has a molecular weight of 96.17 g/mol, XLogP of 2.05, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylbicyclo[2.1.0]pentane is sourced from PubChem (CID 91176619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).