2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol

C13H16N2O — CID 612281

IUPAC2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1C(=Cc2cccnc2)N2CCC1CC2
InChIInChI=1S/C13H16N2O/c16-13-11-3-6-15(7-4-11)12(13)8-10-2-1-5-14-9-10/h1-2,5,8-9,11,13,16H,3-4,6-7H2
InChIKeyPNAGJITYPPYEBX-UHFFFAOYSA-N
MW216.28 g/mol
LogP1.51
Rot. Bonds1

About 2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol

2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol (PubChem CID 612281) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol
PubChem CID612281
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol
SMILESOC1C(=Cc2cccnc2)N2CCC1CC2
InChIInChI=1S/C13H16N2O/c16-13-11-3-6-15(7-4-11)12(13)8-10-2-1-5-14-9-10/h1-2,5,8-9,11,13,16H,3-4,6-7H2
InChIKeyPNAGJITYPPYEBX-UHFFFAOYSA-N
XLogP1.51
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol 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-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol?
The IUPAC name of 2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol (CID 612281) is 2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol.
What is the SMILES notation for 2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol?
The canonical SMILES for 2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol is OC1C(=Cc2cccnc2)N2CCC1CC2.
What is the InChIKey of 2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol?
The InChIKey is PNAGJITYPPYEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c16-13-11-3-6-15(7-4-11)12(13)8-10-2-1-5-14-9-10/h1-2,5,8-9,11,13,16H,3-4,6-7H2.
What are the key properties of 2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol?
2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol has a molecular weight of 216.28 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylidene)-1-azabicyclo[2.2.2]octan-3-ol is sourced from PubChem (CID 612281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).