3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane

C10H12N2 — CID 175933789

IUPAC3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
SMILESc1cncc(N2CC3CC3C2)c1
InChIInChI=1S/C10H12N2/c1-2-10(5-11-3-1)12-6-8-4-9(8)7-12/h1-3,5,8-9H,4,6-7H2
InChIKeyGXWNJEAVCAMGAU-UHFFFAOYSA-N
MW160.22 g/mol
LogP1.54
Rot. Bonds1

About 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane

3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 175933789) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
PubChem CID175933789
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane
SMILESc1cncc(N2CC3CC3C2)c1
InChIInChI=1S/C10H12N2/c1-2-10(5-11-3-1)12-6-8-4-9(8)7-12/h1-3,5,8-9H,4,6-7H2
InChIKeyGXWNJEAVCAMGAU-UHFFFAOYSA-N
XLogP1.54
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane 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 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane (CID 175933789) is 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane is c1cncc(N2CC3CC3C2)c1.
What is the InChIKey of 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is GXWNJEAVCAMGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-2-10(5-11-3-1)12-6-8-4-9(8)7-12/h1-3,5,8-9H,4,6-7H2.
What are the key properties of 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane?
3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 160.22 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 175933789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).