4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one

C11H14N2O2 — CID 23326517

IUPAC4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one
SMILESCC1C(=O)N(c2ccccn2)CC1CO
InChIInChI=1S/C11H14N2O2/c1-8-9(7-14)6-13(11(8)15)10-4-2-3-5-12-10/h2-5,8-9,14H,6-7H2,1H3
InChIKeyPPYPPHSMTWSPLE-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.67
Rot. Bonds2

About 4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one

4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one (PubChem CID 23326517) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one
PubChem CID23326517
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one
SMILESCC1C(=O)N(c2ccccn2)CC1CO
InChIInChI=1S/C11H14N2O2/c1-8-9(7-14)6-13(11(8)15)10-4-2-3-5-12-10/h2-5,8-9,14H,6-7H2,1H3
InChIKeyPPYPPHSMTWSPLE-UHFFFAOYSA-N
XLogP0.67
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-3-pyridin-2-yl-1,3-oxazolidin-2-one
CID 102338604
(4-methyl-1-pyridin-2-ylpyrrolidin-2-yl)methanol
CID 59118037
5-chloro-3-pyridin-2-yl-1,3-oxazolidin-2-one
CID 141348618
(5R)-2-oxo-3-pyridin-2-yl-1,3-oxazolidine-5-carboxylic acid
CID 115056782
N-[(2-oxo-3-pyridin-2-yl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 10082798
3-methyl-1-pyridin-2-yl-1,4-diazepan-2-one
CID 115102065
5-(hydroxymethyl)-1-pyridin-2-ylimidazolidin-2-one
CID 70463289
7-methyl-2-pyridin-2-yl-5,6,8,8a-tetrahydro-1H-imidazo[1,5-a]pyrazin-3-one
CID 163037878
(1R,2S,6R,7R)-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23308558
4-chloro-1-pyridin-2-ylpyrrolidin-2-one
CID 168690022
(3S)-3-bromo-1-pyridin-2-ylpyrrolidin-2-one
CID 70147922
(1R,2S,6R,7S)-4-pyridin-2-yl-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 6950417

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one (CID 23326517) is 4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one is CC1C(=O)N(c2ccccn2)CC1CO.
What is the InChIKey of 4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one?
The InChIKey is PPYPPHSMTWSPLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-9(7-14)6-13(11(8)15)10-4-2-3-5-12-10/h2-5,8-9,14H,6-7H2,1H3.
What are the key properties of 4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one?
4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one has a molecular weight of 206.25 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-methyl-1-pyridin-2-ylpyrrolidin-2-one is sourced from PubChem (CID 23326517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).