1-pyridin-3-ylpyrrolidin-2-one

C9H10N2O — CID 58790312

IUPAC1-pyridin-3-ylpyrrolidin-2-one
SMILESO=C1CCCN1c1cccnc1
InChIInChI=1S/C9H10N2O/c12-9-4-2-6-11(9)8-3-1-5-10-7-8/h1,3,5,7H,2,4,6H2
InChIKeyQMULNWGKGLDDGS-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.21
Rot. Bonds1

About 1-pyridin-3-ylpyrrolidin-2-one

1-pyridin-3-ylpyrrolidin-2-one (PubChem CID 58790312) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 1-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name1-pyridin-3-ylpyrrolidin-2-one
PubChem CID58790312
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name1-pyridin-3-ylpyrrolidin-2-one
SMILESO=C1CCCN1c1cccnc1
InChIInChI=1S/C9H10N2O/c12-9-4-2-6-11(9)8-3-1-5-10-7-8/h1,3,5,7H,2,4,6H2
InChIKeyQMULNWGKGLDDGS-UHFFFAOYSA-N
XLogP1.21
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of 1-pyridin-3-ylpyrrolidin-2-one (CID 58790312) is 1-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for 1-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for 1-pyridin-3-ylpyrrolidin-2-one is O=C1CCCN1c1cccnc1.
What is the InChIKey of 1-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is QMULNWGKGLDDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-9-4-2-6-11(9)8-3-1-5-10-7-8/h1,3,5,7H,2,4,6H2.
What are the key properties of 1-pyridin-3-ylpyrrolidin-2-one?
1-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 162.19 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 58790312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).