4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one

C12H16N2O2 — CID 168701544

IUPAC4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one
SMILESCCC(c1cccnc1)N1CC(O)CC1=O
InChIInChI=1S/C12H16N2O2/c1-2-11(9-4-3-5-13-7-9)14-8-10(15)6-12(14)16/h3-5,7,10-11,15H,2,6,8H2,1H3
InChIKeyHSIJSSFNUFXXBH-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.13
Rot. Bonds3

About 4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one

4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one (PubChem CID 168701544) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one
PubChem CID168701544
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one
SMILESCCC(c1cccnc1)N1CC(O)CC1=O
InChIInChI=1S/C12H16N2O2/c1-2-11(9-4-3-5-13-7-9)14-8-10(15)6-12(14)16/h3-5,7,10-11,15H,2,6,8H2,1H3
InChIKeyHSIJSSFNUFXXBH-UHFFFAOYSA-N
XLogP1.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one
CID 168503296
S-[5-oxo-1-(1-pyridin-3-ylpropyl)pyrrolidin-3-yl] ethanethioate
CID 168704368
4-chloro-1-(1-pyridin-3-ylethyl)pyrrolidin-2-one
CID 168686908
1-[(1S)-1-pyridin-3-ylpropyl]piperazine
CID 92764058
4-hydroxy-1-(1-hydroxybutan-2-yl)pyrrolidin-2-one
CID 130995183
3-(1-piperidin-4-ylpropyl)pyridine
CID 83908701
(2-ethylcyclohexyl)-pyridin-3-ylmethanol
CID 63863632
2-(2,6-dimethylpiperidin-1-yl)-2-pyridin-3-ylethanamine
CID 82041284
N-methyl-2-(3-methyl-2-oxoimidazolidin-1-yl)-N-[(1R)-1-pyridin-3-ylpropyl]acetamide
CID 126454196
4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one
CID 117013986
4-hydroxy-1-(2-phenylpropyl)pyrrolidin-2-one
CID 104592328
4-hydroxy-1-octan-4-ylpyrrolidin-2-one
CID 106021146

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one (CID 168701544) is 4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one is CCC(c1cccnc1)N1CC(O)CC1=O.
What is the InChIKey of 4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one?
The InChIKey is HSIJSSFNUFXXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-2-11(9-4-3-5-13-7-9)14-8-10(15)6-12(14)16/h3-5,7,10-11,15H,2,6,8H2,1H3.
What are the key properties of 4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one?
4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one has a molecular weight of 220.27 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(1-pyridin-3-ylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 168701544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).