2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one

C9H12N2O — CID 96849478

IUPAC2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c([C@@H]2CCCN2)c1
InChIInChI=1S/C9H12N2O/c12-7-3-5-11-9(6-7)8-2-1-4-10-8/h3,5-6,8,10H,1-2,4H2,(H,11,12)/t8-/m0/s1
InChIKeyILNALAVXYTXRCB-QMMMGPOBSA-N
MW164.21 g/mol
LogP0.80
Rot. Bonds1

About 2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one

2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one (PubChem CID 96849478) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one.

Molecular Properties

Compound Name2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
PubChem CID96849478
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one
SMILESO=c1cc[nH]c([C@@H]2CCCN2)c1
InChIInChI=1S/C9H12N2O/c12-7-3-5-11-9(6-7)8-2-1-4-10-8/h3,5-6,8,10H,1-2,4H2,(H,11,12)/t8-/m0/s1
InChIKeyILNALAVXYTXRCB-QMMMGPOBSA-N
XLogP0.80
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one?
The IUPAC name of 2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one (CID 96849478) is 2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one.
What is the SMILES notation for 2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one?
The canonical SMILES for 2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one is O=c1cc[nH]c([C@@H]2CCCN2)c1.
What is the InChIKey of 2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one?
The InChIKey is ILNALAVXYTXRCB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2O/c12-7-3-5-11-9(6-7)8-2-1-4-10-8/h3,5-6,8,10H,1-2,4H2,(H,11,12)/t8-/m0/s1.
What are the key properties of 2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one?
2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one has a molecular weight of 164.21 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-pyrrolidin-2-yl]-1H-pyridin-4-one is sourced from PubChem (CID 96849478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).