5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

C10H12N2O2 — CID 415

IUPAC5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCN1C(=O)CCC1(O)c1cccnc1
InChIInChI=1S/C10H12N2O2/c1-12-9(13)4-5-10(12,14)8-3-2-6-11-7-8/h2-3,6-7,14H,4-5H2,1H3
InChIKeyBBNHNZGTKSWIHD-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.48
Rot. Bonds1

About 5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 415) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
PubChem CID415
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCN1C(=O)CCC1(O)c1cccnc1
InChIInChI=1S/C10H12N2O2/c1-12-9(13)4-5-10(12,14)8-3-2-6-11-7-8/h2-3,6-7,14H,4-5H2,1H3
InChIKeyBBNHNZGTKSWIHD-UHFFFAOYSA-N
XLogP0.48
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cotinine
CID 854019
(+-)-Cotinine
CID 408
3'-Hydroxycotinine, trans-
CID 107963
3-Hydroxycotinine
CID 10219774
R-(+)-Cotinine
CID 21907
5'-Hydroxycotinine
CID 9815515
1-[5-hydroxy-3-methyl-5-(pyridin-3-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-phenylethanone
CID 2877858
rac-(2R,3R)-1-methyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxylic acid
CID 671220
n'-Hydroxymethylnorcotinine
CID 25201488
1-Methyl-3-(1-methyl-5-oxo-2-pyrrolidinyl)pyridinium
CID 583
2'-Hydroxynicotine
CID 23615292
2-Pyrrolidinone, 3-hydroxy-1-methyl-5-(3-pyridinyl)-
CID 414

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one (CID 415) is 5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one is CN1C(=O)CCC1(O)c1cccnc1.
What is the InChIKey of 5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is BBNHNZGTKSWIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-12-9(13)4-5-10(12,14)8-3-2-6-11-7-8/h2-3,6-7,14H,4-5H2,1H3.
What are the key properties of 5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).