3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one

C13H16N2O2 — CID 127460641

IUPAC3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC2(CCC2)C1
InChIInChI=1S/C13H16N2O2/c16-11-10(3-1-7-14-11)12(17)15-8-6-13(9-15)4-2-5-13/h1,3,7H,2,4-6,8-9H2,(H,14,16)
InChIKeyQIGSTRATWSYFNZ-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.39
Rot. Bonds1

About 3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one

3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one (PubChem CID 127460641) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one
PubChem CID127460641
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCC2(CCC2)C1
InChIInChI=1S/C13H16N2O2/c16-11-10(3-1-7-14-11)12(17)15-8-6-13(9-15)4-2-5-13/h1,3,7H,2,4-6,8-9H2,(H,14,16)
InChIKeyQIGSTRATWSYFNZ-UHFFFAOYSA-N
XLogP1.39
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-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 3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one?
The IUPAC name of 3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one (CID 127460641) is 3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCC2(CCC2)C1.
What is the InChIKey of 3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one?
The InChIKey is QIGSTRATWSYFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c16-11-10(3-1-7-14-11)12(17)15-8-6-13(9-15)4-2-5-13/h1,3,7H,2,4-6,8-9H2,(H,14,16).
What are the key properties of 3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one?
3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one has a molecular weight of 232.28 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-azaspiro[3.4]octane-6-carbonyl)-1H-pyridin-2-one is sourced from PubChem (CID 127460641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).