3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

C13H18N2O3 — CID 62469140

IUPAC3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCCC1CCCO
InChIInChI=1S/C13H18N2O3/c16-9-3-5-10-4-2-8-15(10)13(18)11-6-1-7-14-12(11)17/h1,6-7,10,16H,2-5,8-9H2,(H,14,17)
InChIKeyMATRYLKWJVBBOK-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.75
Rot. Bonds4

About 3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one

3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 62469140) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID62469140
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CCCC1CCCO
InChIInChI=1S/C13H18N2O3/c16-9-3-5-10-4-2-8-15(10)13(18)11-6-1-7-14-12(11)17/h1,6-7,10,16H,2-5,8-9H2,(H,14,17)
InChIKeyMATRYLKWJVBBOK-UHFFFAOYSA-N
XLogP0.75
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[2-(3-hydroxypropyl)pyrrolidine-1-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-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one (CID 62469140) is 3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CCCC1CCCO.
What is the InChIKey of 3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is MATRYLKWJVBBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-9-3-5-10-4-2-8-15(10)13(18)11-6-1-7-14-12(11)17/h1,6-7,10,16H,2-5,8-9H2,(H,14,17).
What are the key properties of 3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one?
3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 62469140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).