1H-pyridin-2-one

C40H40N8O8 — CID 157260165

IUPAC1H-pyridin-2-one
SMILESO=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1
InChIInChI=1S/8C5H5NO/c8*7-5-3-1-2-4-6-5/h8*1-4H,(H,6,7)
InChIKeyAXIZUOONLDVSDD-UHFFFAOYSA-N
MW760.81 g/mol
LogP3.00
Rot. Bonds

About 1H-pyridin-2-one

1H-pyridin-2-one (PubChem CID 157260165) has the molecular formula C40H40N8O8 and a molecular weight of 760.81 g/mol. Its IUPAC name is 1H-pyridin-2-one.

Molecular Properties

Compound Name1H-pyridin-2-one
PubChem CID157260165
Molecular FormulaC40H40N8O8
Molecular Weight760.81 g/mol
Exact Mass760.30
IUPAC Name1H-pyridin-2-one
SMILESO=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1
InChIInChI=1S/8C5H5NO/c8*7-5-3-1-2-4-6-5/h8*1-4H,(H,6,7)
InChIKeyAXIZUOONLDVSDD-UHFFFAOYSA-N
XLogP3.00
TPSA262.88 Ų
H-Bond Donors8
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500760.81
LogP ≤ 53.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 108

Analyze 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 1H-pyridin-2-one?
The IUPAC name of 1H-pyridin-2-one (CID 157260165) is 1H-pyridin-2-one.
What is the SMILES notation for 1H-pyridin-2-one?
The canonical SMILES for 1H-pyridin-2-one is O=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1.O=c1cccc[nH]1.
What is the InChIKey of 1H-pyridin-2-one?
The InChIKey is AXIZUOONLDVSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/8C5H5NO/c8*7-5-3-1-2-4-6-5/h8*1-4H,(H,6,7).
What are the key properties of 1H-pyridin-2-one?
1H-pyridin-2-one has a molecular weight of 760.81 g/mol, XLogP of 3.00, 0 rotatable bonds, 8 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyridin-2-one is sourced from PubChem (CID 157260165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).