4-chloro-1-pyridin-2-ylpyrrolidin-2-one

C9H9ClN2O — CID 168690022

IUPAC4-chloro-1-pyridin-2-ylpyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1ccccn1
InChIInChI=1S/C9H9ClN2O/c10-7-5-9(13)12(6-7)8-3-1-2-4-11-8/h1-4,7H,5-6H2
InChIKeyZNGSYQWPLXGIRD-UHFFFAOYSA-N
MW196.64 g/mol
LogP1.43
Rot. Bonds1

About 4-chloro-1-pyridin-2-ylpyrrolidin-2-one

4-chloro-1-pyridin-2-ylpyrrolidin-2-one (PubChem CID 168690022) has the molecular formula C9H9ClN2O and a molecular weight of 196.64 g/mol. Its IUPAC name is 4-chloro-1-pyridin-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-pyridin-2-ylpyrrolidin-2-one
PubChem CID168690022
Molecular FormulaC9H9ClN2O
Molecular Weight196.64 g/mol
Exact Mass196.04
IUPAC Name4-chloro-1-pyridin-2-ylpyrrolidin-2-one
SMILESO=C1CC(Cl)CN1c1ccccn1
InChIInChI=1S/C9H9ClN2O/c10-7-5-9(13)12(6-7)8-3-1-2-4-11-8/h1-4,7H,5-6H2
InChIKeyZNGSYQWPLXGIRD-UHFFFAOYSA-N
XLogP1.43
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.64
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-oxo-1-pyridin-2-ylpyrrolidine-3-sulfonamide
CID 168719616
1-(6-bromo-2-pyridinyl)-4-chloropyrrolidin-2-one
CID 168689770
4-chloro-1-(6-methyl-2-pyridinyl)pyrrolidin-2-one
CID 168688343
4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one
CID 168689859
5-chloro-3-pyridin-2-yl-1,3-oxazolidin-2-one
CID 141348618
4-chloro-1-quinolin-8-ylpyrrolidin-2-one
CID 168689599
4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168687595
4-chloro-1-quinolin-5-ylpyrrolidin-2-one
CID 168689584
4-chloro-1-(2-methylsulfanylphenyl)pyrrolidin-2-one
CID 168687946
4-chloro-1-(2-ethylphenyl)pyrrolidin-2-one
CID 168687542
4-chloro-1-[phenyl(pyridin-2-yl)methyl]pyrrolidin-2-one
CID 168687083
4-chloro-1-(2-propan-2-ylsulfanylphenyl)pyrrolidin-2-one
CID 168687317

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-pyridin-2-ylpyrrolidin-2-one?
The IUPAC name of 4-chloro-1-pyridin-2-ylpyrrolidin-2-one (CID 168690022) is 4-chloro-1-pyridin-2-ylpyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-pyridin-2-ylpyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-pyridin-2-ylpyrrolidin-2-one is O=C1CC(Cl)CN1c1ccccn1.
What is the InChIKey of 4-chloro-1-pyridin-2-ylpyrrolidin-2-one?
The InChIKey is ZNGSYQWPLXGIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O/c10-7-5-9(13)12(6-7)8-3-1-2-4-11-8/h1-4,7H,5-6H2.
What are the key properties of 4-chloro-1-pyridin-2-ylpyrrolidin-2-one?
4-chloro-1-pyridin-2-ylpyrrolidin-2-one has a molecular weight of 196.64 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-pyridin-2-ylpyrrolidin-2-one is sourced from PubChem (CID 168690022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).