(5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one

C10H12N2O2 — CID 10219774

IUPAC(5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCN1C(=O)C(O)C[C@H]1c1cccnc1
InChIInChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9?/m0/s1
InChIKeyXOKCJXZZNAUIQN-IENPIDJESA-N
MW192.22 g/mol
LogP0.35
Rot. Bonds1

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

(5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 10219774) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
PubChem CID10219774
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESCN1C(=O)C(O)C[C@H]1c1cccnc1
InChIInChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9?/m0/s1
InChIKeyXOKCJXZZNAUIQN-IENPIDJESA-N
XLogP0.35
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 ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of (5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one (CID 10219774) is (5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for (5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for (5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one is CN1C(=O)C(O)C[C@H]1c1cccnc1.
What is the InChIKey of (5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is XOKCJXZZNAUIQN-IENPIDJESA-N. The full InChI is InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9?/m0/s1.
What are the key properties of (5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one?
(5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 192.22 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-hydroxy-1-methyl-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 10219774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).