1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one

C14H20N2O2 — CID 78954178

IUPAC1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN1C2CCC1CC(O)C2
InChIInChI=1S/C14H20N2O2/c17-13-9-11-4-5-12(10-13)16(11)8-7-15-6-2-1-3-14(15)18/h1-3,6,11-13,17H,4-5,7-10H2
InChIKeyQDZWOIAINHBYQO-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.84
Rot. Bonds3

About 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one

1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one (PubChem CID 78954178) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one
PubChem CID78954178
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one
SMILESO=c1ccccn1CCN1C2CCC1CC(O)C2
InChIInChI=1S/C14H20N2O2/c17-13-9-11-4-5-12(10-13)16(11)8-7-15-6-2-1-3-14(15)18/h1-3,6,11-13,17H,4-5,7-10H2
InChIKeyQDZWOIAINHBYQO-UHFFFAOYSA-N
XLogP0.84
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one 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 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one?
The IUPAC name of 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one (CID 78954178) is 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one.
What is the SMILES notation for 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one?
The canonical SMILES for 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one is O=c1ccccn1CCN1C2CCC1CC(O)C2.
What is the InChIKey of 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one?
The InChIKey is QDZWOIAINHBYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c17-13-9-11-4-5-12(10-13)16(11)8-7-15-6-2-1-3-14(15)18/h1-3,6,11-13,17H,4-5,7-10H2.
What are the key properties of 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one?
1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethyl]pyridin-2-one is sourced from PubChem (CID 78954178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).