3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one

C10H14N2O — CID 928594

IUPAC3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one
SMILESCN1CCC[C@H]1c1ccc[nH]c1=O
InChIInChI=1S/C10H14N2O/c1-12-7-3-5-9(12)8-4-2-6-11-10(8)13/h2,4,6,9H,3,5,7H2,1H3,(H,11,13)/t9-/m0/s1
InChIKeyHEPGBMFRBFJBBJ-VIFPVBQESA-N
MW178.24 g/mol
LogP1.14
Rot. Bonds1

About 3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one

3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one (PubChem CID 928594) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one
PubChem CID928594
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one
SMILESCN1CCC[C@H]1c1ccc[nH]c1=O
InChIInChI=1S/C10H14N2O/c1-12-7-3-5-9(12)8-4-2-6-11-10(8)13/h2,4,6,9H,3,5,7H2,1H3,(H,11,13)/t9-/m0/s1
InChIKeyHEPGBMFRBFJBBJ-VIFPVBQESA-N
XLogP1.14
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one?
The IUPAC name of 3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one (CID 928594) is 3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one?
The canonical SMILES for 3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one is CN1CCC[C@H]1c1ccc[nH]c1=O.
What is the InChIKey of 3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one?
The InChIKey is HEPGBMFRBFJBBJ-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O/c1-12-7-3-5-9(12)8-4-2-6-11-10(8)13/h2,4,6,9H,3,5,7H2,1H3,(H,11,13)/t9-/m0/s1.
What are the key properties of 3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one?
3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one has a molecular weight of 178.24 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-methylpyrrolidin-2-yl]-1H-pyridin-2-one is sourced from PubChem (CID 928594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).