5-pyridin-3-ylpyrrolidin-2-one

C9H10N2O — CID 413

IUPAC5-pyridin-3-ylpyrrolidin-2-one
SMILESO=C1CCC(c2cccnc2)N1
InChIInChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)
InChIKeyFXFANIORDKRCCA-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.03
Rot. Bonds1

About 5-pyridin-3-ylpyrrolidin-2-one

5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 413) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-pyridin-3-ylpyrrolidin-2-one
PubChem CID413
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-pyridin-3-ylpyrrolidin-2-one
SMILESO=C1CCC(c2cccnc2)N1
InChIInChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12)
InChIKeyFXFANIORDKRCCA-UHFFFAOYSA-N
XLogP1.03
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Cotinine
CID 854019
Nornicotine
CID 91462
3-(Pyrrolidin-2-yl)pyridine
CID 412
(+-)-Cotinine
CID 408
Ximelegatran
CID 448042
Mono-N-dealkyldisopyramide
CID 107858
(R)-Nornicotine
CID 93047
cotinine N-oxide
CID 9815514
N-(2-(Pyridin-2-yl)ethyl)-3-p-menthanecarboxamide
CID 56969824
C3A receptor agonist
CID 44430519
N-Methyl-gamma-oxo-3-pyridinebutanamide
CID 436
R-(+)-Cotinine
CID 21907

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of 5-pyridin-3-ylpyrrolidin-2-one (CID 413) is 5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for 5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for 5-pyridin-3-ylpyrrolidin-2-one is O=C1CCC(c2cccnc2)N1.
What is the InChIKey of 5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is FXFANIORDKRCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-9-4-3-8(11-9)7-2-1-5-10-6-7/h1-2,5-6,8H,3-4H2,(H,11,12).
What are the key properties of 5-pyridin-3-ylpyrrolidin-2-one?
5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 162.19 g/mol, XLogP of 1.03, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).