1-pyrrol-1-ylpyridin-2-one

C9H8N2O — CID 3629150

IUPAC1-pyrrol-1-ylpyridin-2-one
SMILESO=c1ccccn1-n1cccc1
InChIInChI=1S/C9H8N2O/c12-9-5-1-2-8-11(9)10-6-3-4-7-10/h1-8H
InChIKeyASZXCVWCANNSMN-UHFFFAOYSA-N
MW160.18 g/mol
LogP0.96
Rot. Bonds1

About 1-pyrrol-1-ylpyridin-2-one

1-pyrrol-1-ylpyridin-2-one (PubChem CID 3629150) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 1-pyrrol-1-ylpyridin-2-one.

Molecular Properties

Compound Name1-pyrrol-1-ylpyridin-2-one
PubChem CID3629150
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name1-pyrrol-1-ylpyridin-2-one
SMILESO=c1ccccn1-n1cccc1
InChIInChI=1S/C9H8N2O/c12-9-5-1-2-8-11(9)10-6-3-4-7-10/h1-8H
InChIKeyASZXCVWCANNSMN-UHFFFAOYSA-N
XLogP0.96
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-pyrrol-1-ylpyridin-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-pyrrol-1-ylpyridin-2-one?
The IUPAC name of 1-pyrrol-1-ylpyridin-2-one (CID 3629150) is 1-pyrrol-1-ylpyridin-2-one.
What is the SMILES notation for 1-pyrrol-1-ylpyridin-2-one?
The canonical SMILES for 1-pyrrol-1-ylpyridin-2-one is O=c1ccccn1-n1cccc1.
What is the InChIKey of 1-pyrrol-1-ylpyridin-2-one?
The InChIKey is ASZXCVWCANNSMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-5-1-2-8-11(9)10-6-3-4-7-10/h1-8H.
What are the key properties of 1-pyrrol-1-ylpyridin-2-one?
1-pyrrol-1-ylpyridin-2-one has a molecular weight of 160.18 g/mol, XLogP of 0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrol-1-ylpyridin-2-one is sourced from PubChem (CID 3629150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).