2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane

C11H18 — CID 6852346

IUPAC2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane
SMILESC=C(C)CC1CC2CCC1C2
InChIInChI=1S/C11H18/c1-8(2)5-11-7-9-3-4-10(11)6-9/h9-11H,1,3-7H2,2H3
InChIKeyBOVROLNKJVFWHA-UHFFFAOYSA-N
MW150.26 g/mol
LogP3.39
Rot. Bonds2

About 2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane

2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane (PubChem CID 6852346) has the molecular formula C11H18 and a molecular weight of 150.26 g/mol. Its IUPAC name is 2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane
PubChem CID6852346
Molecular FormulaC11H18
Molecular Weight150.26 g/mol
Exact Mass150.14
IUPAC Name2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane
SMILESC=C(C)CC1CC2CCC1C2
InChIInChI=1S/C11H18/c1-8(2)5-11-7-9-3-4-10(11)6-9/h9-11H,1,3-7H2,2H3
InChIKeyBOVROLNKJVFWHA-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.26
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane 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 2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane (CID 6852346) is 2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane is C=C(C)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane?
The InChIKey is BOVROLNKJVFWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18/c1-8(2)5-11-7-9-3-4-10(11)6-9/h9-11H,1,3-7H2,2H3.
What are the key properties of 2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane?
2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane has a molecular weight of 150.26 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylprop-2-enyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 6852346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).