2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile

C11H17N — CID 14589637

IUPAC2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile
SMILESCC1(C)C2CCC(C2)C1CC#N
InChIInChI=1S/C11H17N/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h8-10H,3-5,7H2,1-2H3
InChIKeyCLYFANPLZQXOEY-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.97
Rot. Bonds1

About 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile

2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile (PubChem CID 14589637) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile
PubChem CID14589637
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile
SMILESCC1(C)C2CCC(C2)C1CC#N
InChIInChI=1S/C11H17N/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h8-10H,3-5,7H2,1-2H3
InChIKeyCLYFANPLZQXOEY-UHFFFAOYSA-N
XLogP2.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile 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-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile?
The IUPAC name of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile (CID 14589637) is 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile.
What is the SMILES notation for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile?
The canonical SMILES for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile is CC1(C)C2CCC(C2)C1CC#N.
What is the InChIKey of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile?
The InChIKey is CLYFANPLZQXOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-11(2)9-4-3-8(7-9)10(11)5-6-12/h8-10H,3-5,7H2,1-2H3.
What are the key properties of 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile?
2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile has a molecular weight of 163.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl)acetonitrile is sourced from PubChem (CID 14589637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).