(5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one

C10H12N2O2 — CID 25201488

IUPAC(5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one
SMILESO=C1CC[C@@H](c2cccnc2)N1CO
InChIInChI=1S/C10H12N2O2/c13-7-12-9(3-4-10(12)14)8-2-1-5-11-6-8/h1-2,5-6,9,13H,3-4,7H2/t9-/m0/s1
InChIKeyGQUFOBHEPVFQMD-VIFPVBQESA-N
MW192.22 g/mol
LogP0.69
Rot. Bonds2

About (5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one

(5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 25201488) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one
PubChem CID25201488
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one
SMILESO=C1CC[C@@H](c2cccnc2)N1CO
InChIInChI=1S/C10H12N2O2/c13-7-12-9(3-4-10(12)14)8-2-1-5-11-6-8/h1-2,5-6,9,13H,3-4,7H2/t9-/m0/s1
InChIKeyGQUFOBHEPVFQMD-VIFPVBQESA-N
XLogP0.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-1-[(4-aminophenyl)methyl]-5-pyridin-3-ylpyrrolidin-2-one
CID 171824420
4-oxo-4-[6-[(5S)-2-oxo-5-pyridin-3-ylpyrrolidin-1-yl]hexylamino]butanoic acid
CID 10678149
5-phenyl-1-(pyridin-4-ylmethyl)pyrrolidin-2-one
CID 173311481
3-pyridin-3-ylcyclopentan-1-one
CID 59265971
5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 132597790
1-methyl-2,6-dipyridin-3-ylpiperidin-4-one
CID 67052519
3-(1-methylpyrrolidin-2-yl)pyridine;oxalic acid
CID 159143425
carbonic acid;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 175253696
2-pyridin-3-ylpiperidin-1-amine
CID 5026347
methanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 174330723
2-chloro-1-[(2R)-2-pyridin-3-ylpyrrolidin-1-yl]ethanone
CID 14619396
2-pyridin-3-ylpiperidine-1-carboxylic acid
CID 67067085

Frequently Asked Questions

What is the IUPAC name of (5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of (5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one (CID 25201488) is (5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for (5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for (5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one is O=C1CC[C@@H](c2cccnc2)N1CO.
What is the InChIKey of (5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is GQUFOBHEPVFQMD-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12N2O2/c13-7-12-9(3-4-10(12)14)8-2-1-5-11-6-8/h1-2,5-6,9,13H,3-4,7H2/t9-/m0/s1.
What are the key properties of (5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one?
(5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 25201488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).