3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one

C13H20N2O — CID 63172875

IUPAC3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one
SMILESCc1cccn(CCCC2CCCN2)c1=O
InChIInChI=1S/C13H20N2O/c1-11-5-3-9-15(13(11)16)10-4-7-12-6-2-8-14-12/h3,5,9,12,14H,2,4,6-8,10H2,1H3
InChIKeyATWQIXUGZPGOIH-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.69
Rot. Bonds4

About 3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one

3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one (PubChem CID 63172875) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one.

Molecular Properties

Compound Name3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one
PubChem CID63172875
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one
SMILESCc1cccn(CCCC2CCCN2)c1=O
InChIInChI=1S/C13H20N2O/c1-11-5-3-9-15(13(11)16)10-4-7-12-6-2-8-14-12/h3,5,9,12,14H,2,4,6-8,10H2,1H3
InChIKeyATWQIXUGZPGOIH-UHFFFAOYSA-N
XLogP1.69
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-iodo-3-(3-pyrrolidin-2-ylpropyl)pyrimidin-4-one
CID 66309078
3-(3-pyrrolidin-2-ylpropyl)thieno[3,2-d]pyrimidin-4-one
CID 62479778
2-[3-[(2-methylphenyl)methylsulfinyl]propyl]pyrrolidine
CID 112741759
1-(2-fluoroethyl)-3-methylpyridin-2-one
CID 116621496
1-ethyl-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104971730
2-(3-pyrrolidin-2-ylpropyl)-4H-isoquinoline-1,3-dione
CID 62478350
5-(2-piperidin-2-ylethyl)pyrazolo[1,5-a]pyrazin-4-one
CID 104734984
1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine
CID 62479760
1-[4-(ethylamino)butyl]-3-methylpyridin-2-one
CID 63172843
1-methyl-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]pyrrole-2-carboxamide
CID 104955194
5-methyl-3-(pyrrolidin-2-ylmethyl)pyrimidin-4-one
CID 126857626
6-methoxy-2-(2-piperidin-2-ylethyl)isoquinolin-1-one
CID 82151396

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one?
The IUPAC name of 3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one (CID 63172875) is 3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one.
What is the SMILES notation for 3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one?
The canonical SMILES for 3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one is Cc1cccn(CCCC2CCCN2)c1=O.
What is the InChIKey of 3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one?
The InChIKey is ATWQIXUGZPGOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-11-5-3-9-15(13(11)16)10-4-7-12-6-2-8-14-12/h3,5,9,12,14H,2,4,6-8,10H2,1H3.
What are the key properties of 3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one?
3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one has a molecular weight of 220.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-pyrrolidin-2-ylpropyl)pyridin-2-one is sourced from PubChem (CID 63172875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).