1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one

C13H20N2O — CID 177200034

IUPAC1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cccn(C2CCN(C)C2)c1=O
InChIInChI=1S/C13H20N2O/c1-10(2)12-5-4-7-15(13(12)16)11-6-8-14(3)9-11/h4-5,7,10-11H,6,8-9H2,1-3H3
InChIKeyAVGMBZZTXCGPIB-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.85
Rot. Bonds2

About 1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one

1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one (PubChem CID 177200034) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one
PubChem CID177200034
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one
SMILESCC(C)c1cccn(C2CCN(C)C2)c1=O
InChIInChI=1S/C13H20N2O/c1-10(2)12-5-4-7-15(13(12)16)11-6-8-14(3)9-11/h4-5,7,10-11H,6,8-9H2,1-3H3
InChIKeyAVGMBZZTXCGPIB-UHFFFAOYSA-N
XLogP1.85
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(1-methylpyrrolidin-3-yl)-3-propan-2-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

Related Compounds

1-[(3S)-oxan-3-yl]-3-propan-2-ylpyridin-2-one
CID 146635158
[1-(1-methylpyrrolidin-3-yl)pyrrol-2-yl]methanamine
CID 82503676
N-[1-(1-methylpiperidin-3-yl)-2-oxo-3-pyridinyl]acetamide
CID 137450630
5-(aminomethyl)-1-(1-methylpyrrolidin-3-yl)pyridin-2-one
CID 82507352
1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine
CID 121016353
3-amino-1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]pyridin-2-one
CID 137450536
6-bromo-1-(1-methylpyrrolidin-3-yl)pyrrolo[2,3-b]pyridine
CID 147916716
3-ethyl-1-[1-(2-fluoroethyl)piperidin-4-yl]pyridin-2-one
CID 156737838
3-[(3R)-3-(3-amino-2-oxo-1-pyridinyl)pyrrolidin-1-yl]propanenitrile
CID 137450920
1-(2-methylpropyl)-3-propan-2-ylpyridin-2-one
CID 178098988
3-(2-methylpropyl)-1-[(3S)-oxolan-3-yl]pyridin-2-one
CID 157368116
3-[amino-(4-chlorophenyl)methyl]-1-cyclopentylpyridin-2-one
CID 82526577

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one?
The IUPAC name of 1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one (CID 177200034) is 1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one is CC(C)c1cccn(C2CCN(C)C2)c1=O.
What is the InChIKey of 1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one?
The InChIKey is AVGMBZZTXCGPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)12-5-4-7-15(13(12)16)11-6-8-14(3)9-11/h4-5,7,10-11H,6,8-9H2,1-3H3.
What are the key properties of 1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one?
1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrrolidin-3-yl)-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 177200034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).