2-(2-methylpropyl)bicyclo[2.2.1]heptane

C11H20 — CID 565405

IUPAC2-(2-methylpropyl)bicyclo[2.2.1]heptane
SMILESCC(C)CC1CC2CCC1C2
InChIInChI=1S/C11H20/c1-8(2)5-11-7-9-3-4-10(11)6-9/h8-11H,3-7H2,1-2H3
InChIKeyFUYHDFCORAHYRE-UHFFFAOYSA-N
MW152.28 g/mol
LogP3.47
Rot. Bonds2

About 2-(2-methylpropyl)bicyclo[2.2.1]heptane

2-(2-methylpropyl)bicyclo[2.2.1]heptane (PubChem CID 565405) has the molecular formula C11H20 and a molecular weight of 152.28 g/mol. Its IUPAC name is 2-(2-methylpropyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-methylpropyl)bicyclo[2.2.1]heptane
PubChem CID565405
Molecular FormulaC11H20
Molecular Weight152.28 g/mol
Exact Mass152.16
IUPAC Name2-(2-methylpropyl)bicyclo[2.2.1]heptane
SMILESCC(C)CC1CC2CCC1C2
InChIInChI=1S/C11H20/c1-8(2)5-11-7-9-3-4-10(11)6-9/h8-11H,3-7H2,1-2H3
InChIKeyFUYHDFCORAHYRE-UHFFFAOYSA-N
XLogP3.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-(2-methylpropyl)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-methylpropyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-methylpropyl)bicyclo[2.2.1]heptane (CID 565405) is 2-(2-methylpropyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-methylpropyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-methylpropyl)bicyclo[2.2.1]heptane is CC(C)CC1CC2CCC1C2.
What is the InChIKey of 2-(2-methylpropyl)bicyclo[2.2.1]heptane?
The InChIKey is FUYHDFCORAHYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20/c1-8(2)5-11-7-9-3-4-10(11)6-9/h8-11H,3-7H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)bicyclo[2.2.1]heptane?
2-(2-methylpropyl)bicyclo[2.2.1]heptane has a molecular weight of 152.28 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 565405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).