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

C10H14N2O — CID 67846460

IUPAC1-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-one
SMILESCN1CCC[C@@H]1n1ccccc1=O
InChIInChI=1S/C10H14N2O/c1-11-7-4-5-9(11)12-8-3-2-6-10(12)13/h2-3,6,8-9H,4-5,7H2,1H3/t9-/m0/s1
InChIKeyGKNCZBUPZAMKCN-VIFPVBQESA-N
MW178.24 g/mol
LogP1.07
Rot. Bonds1

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

1-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-one (PubChem CID 67846460) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 1-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-one
PubChem CID67846460
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name1-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-one
SMILESCN1CCC[C@@H]1n1ccccc1=O
InChIInChI=1S/C10H14N2O/c1-11-7-4-5-9(11)12-8-3-2-6-10(12)13/h2-3,6,8-9H,4-5,7H2,1H3/t9-/m0/s1
InChIKeyGKNCZBUPZAMKCN-VIFPVBQESA-N
XLogP1.07
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-one?
The IUPAC name of 1-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-one (CID 67846460) is 1-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-one.
What is the SMILES notation for 1-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-one?
The canonical SMILES for 1-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-one is CN1CCC[C@@H]1n1ccccc1=O.
What is the InChIKey of 1-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-one?
The InChIKey is GKNCZBUPZAMKCN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O/c1-11-7-4-5-9(11)12-8-3-2-6-10(12)13/h2-3,6,8-9H,4-5,7H2,1H3/t9-/m0/s1.
What are the key properties of 1-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-one?
1-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-one has a molecular weight of 178.24 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-1-methylpyrrolidin-2-yl]pyridin-2-one is sourced from PubChem (CID 67846460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).