5-pyridin-4-ylpyrrolidin-2-one

C9H10N2O — CID 130009175

IUPAC5-pyridin-4-ylpyrrolidin-2-one
SMILESO=C1CCC(c2ccncc2)N1
InChIInChI=1S/C9H10N2O/c12-9-2-1-8(11-9)7-3-5-10-6-4-7/h3-6,8H,1-2H2,(H,11,12)
InChIKeyAAJFNBLOMCXHBX-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.03
Rot. Bonds1

About 5-pyridin-4-ylpyrrolidin-2-one

5-pyridin-4-ylpyrrolidin-2-one (PubChem CID 130009175) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 5-pyridin-4-ylpyrrolidin-2-one.

Molecular Properties

Compound Name5-pyridin-4-ylpyrrolidin-2-one
PubChem CID130009175
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name5-pyridin-4-ylpyrrolidin-2-one
SMILESO=C1CCC(c2ccncc2)N1
InChIInChI=1S/C9H10N2O/c12-9-2-1-8(11-9)7-3-5-10-6-4-7/h3-6,8H,1-2H2,(H,11,12)
InChIKeyAAJFNBLOMCXHBX-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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Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-ylpyrrolidin-2-one?
The IUPAC name of 5-pyridin-4-ylpyrrolidin-2-one (CID 130009175) is 5-pyridin-4-ylpyrrolidin-2-one.
What is the SMILES notation for 5-pyridin-4-ylpyrrolidin-2-one?
The canonical SMILES for 5-pyridin-4-ylpyrrolidin-2-one is O=C1CCC(c2ccncc2)N1.
What is the InChIKey of 5-pyridin-4-ylpyrrolidin-2-one?
The InChIKey is AAJFNBLOMCXHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c12-9-2-1-8(11-9)7-3-5-10-6-4-7/h3-6,8H,1-2H2,(H,11,12).
What are the key properties of 5-pyridin-4-ylpyrrolidin-2-one?
5-pyridin-4-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-4-ylpyrrolidin-2-one is sourced from PubChem (CID 130009175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).