4-pyridin-4-ylpyrrolidin-2-one

C9H10N2O — CID 62074692

IUPAC4-pyridin-4-ylpyrrolidin-2-one
SMILESO=C1CC(c2ccncc2)CN1
InChIInChI=1S/C9H10N2O/c12-9-5-8(6-11-9)7-1-3-10-4-2-7/h1-4,8H,5-6H2,(H,11,12)
InChIKeyNGECHVBQXAJIFW-UHFFFAOYSA-N
MW162.19 g/mol
LogP0.69
Rot. Bonds1

About 4-pyridin-4-ylpyrrolidin-2-one

4-pyridin-4-ylpyrrolidin-2-one (PubChem CID 62074692) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 4-pyridin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-pyridin-4-ylpyrrolidin-2-one
PubChem CID62074692
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name4-pyridin-4-ylpyrrolidin-2-one
SMILESO=C1CC(c2ccncc2)CN1
InChIInChI=1S/C9H10N2O/c12-9-5-8(6-11-9)7-1-3-10-4-2-7/h1-4,8H,5-6H2,(H,11,12)
InChIKeyNGECHVBQXAJIFW-UHFFFAOYSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-ylpyrrolidin-2-one?
The IUPAC name of 4-pyridin-4-ylpyrrolidin-2-one (CID 62074692) is 4-pyridin-4-ylpyrrolidin-2-one.
What is the SMILES notation for 4-pyridin-4-ylpyrrolidin-2-one?
The canonical SMILES for 4-pyridin-4-ylpyrrolidin-2-one is O=C1CC(c2ccncc2)CN1.
What is the InChIKey of 4-pyridin-4-ylpyrrolidin-2-one?
The InChIKey is NGECHVBQXAJIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-9-5-8(6-11-9)7-1-3-10-4-2-7/h1-4,8H,5-6H2,(H,11,12).
What are the key properties of 4-pyridin-4-ylpyrrolidin-2-one?
4-pyridin-4-ylpyrrolidin-2-one has a molecular weight of 162.19 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-ylpyrrolidin-2-one is sourced from PubChem (CID 62074692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).