2-(8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile

C9H12N2 — CID 140974366

IUPAC2-(8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile
SMILESN#CC=C1CC2CCC(C1)N2
InChIInChI=1S/C9H12N2/c10-4-3-7-5-8-1-2-9(6-7)11-8/h3,8-9,11H,1-2,5-6H2
InChIKeyXCYPOGXCNJFQHF-UHFFFAOYSA-N
MW148.21 g/mol
LogP1.35
Rot. Bonds

About 2-(8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile

2-(8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile (PubChem CID 140974366) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile
PubChem CID140974366
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile
SMILESN#CC=C1CC2CCC(C1)N2
InChIInChI=1S/C9H12N2/c10-4-3-7-5-8-1-2-9(6-7)11-8/h3,8-9,11H,1-2,5-6H2
InChIKeyXCYPOGXCNJFQHF-UHFFFAOYSA-N
XLogP1.35
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(8-azabicyclo[3.2.1]octan-3-ylidene)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-(8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile (CID 140974366) is 2-(8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile is N#CC=C1CC2CCC(C1)N2.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile?
The InChIKey is XCYPOGXCNJFQHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2/c10-4-3-7-5-8-1-2-9(6-7)11-8/h3,8-9,11H,1-2,5-6H2.
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile?
2-(8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile has a molecular weight of 148.21 g/mol, XLogP of 1.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile is sourced from PubChem (CID 140974366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).