1-(pyridine-3-carbonyl)pyrrolidin-2-one

C10H10N2O2 — CID 571608

IUPAC1-(pyridine-3-carbonyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)c1cccnc1
InChIInChI=1S/C10H10N2O2/c13-9-4-2-6-12(9)10(14)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2
InChIKeyNJACBPWQPKOIJO-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.84
Rot. Bonds1

About 1-(pyridine-3-carbonyl)pyrrolidin-2-one

1-(pyridine-3-carbonyl)pyrrolidin-2-one (PubChem CID 571608) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 1-(pyridine-3-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(pyridine-3-carbonyl)pyrrolidin-2-one
PubChem CID571608
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name1-(pyridine-3-carbonyl)pyrrolidin-2-one
SMILESO=C1CCCN1C(=O)c1cccnc1
InChIInChI=1S/C10H10N2O2/c13-9-4-2-6-12(9)10(14)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2
InChIKeyNJACBPWQPKOIJO-UHFFFAOYSA-N
XLogP0.84
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(pyridine-3-carbonyl)pyrrolidin-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-(pyridine-3-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-(pyridine-3-carbonyl)pyrrolidin-2-one (CID 571608) is 1-(pyridine-3-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(pyridine-3-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-(pyridine-3-carbonyl)pyrrolidin-2-one is O=C1CCCN1C(=O)c1cccnc1.
What is the InChIKey of 1-(pyridine-3-carbonyl)pyrrolidin-2-one?
The InChIKey is NJACBPWQPKOIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c13-9-4-2-6-12(9)10(14)8-3-1-5-11-7-8/h1,3,5,7H,2,4,6H2.
What are the key properties of 1-(pyridine-3-carbonyl)pyrrolidin-2-one?
1-(pyridine-3-carbonyl)pyrrolidin-2-one has a molecular weight of 190.20 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridine-3-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 571608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).