4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one

C12H15ClNO2P — CID 168687930

IUPAC4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one
SMILESCP(C)(=O)c1ccccc1N1CC(Cl)CC1=O
InChIInChI=1S/C12H15ClNO2P/c1-17(2,16)11-6-4-3-5-10(11)14-8-9(13)7-12(14)15/h3-6,9H,7-8H2,1-2H3
InChIKeyPWGWJQKDXYTEFD-UHFFFAOYSA-N
MW271.68 g/mol
LogP2.28
Rot. Bonds2

About 4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one

4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one (PubChem CID 168687930) has the molecular formula C12H15ClNO2P and a molecular weight of 271.68 g/mol. Its IUPAC name is 4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one
PubChem CID168687930
Molecular FormulaC12H15ClNO2P
Molecular Weight271.68 g/mol
Exact Mass271.05
IUPAC Name4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one
SMILESCP(C)(=O)c1ccccc1N1CC(Cl)CC1=O
InChIInChI=1S/C12H15ClNO2P/c1-17(2,16)11-6-4-3-5-10(11)14-8-9(13)7-12(14)15/h3-6,9H,7-8H2,1-2H3
InChIKeyPWGWJQKDXYTEFD-UHFFFAOYSA-N
XLogP2.28
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.68
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(bromomethyl)-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one
CID 168504286
1-(2-dimethylphosphorylphenyl)-4-ethynylpyrrolidin-2-one
CID 168500963
4-chloro-1-(2-ethylphenyl)pyrrolidin-2-one
CID 168687542
4-chloro-1-(2-methylsulfanylphenyl)pyrrolidin-2-one
CID 168687946
4-chloro-1-(2-propan-2-ylsulfanylphenyl)pyrrolidin-2-one
CID 168687317
2-(4-chloro-2-oxopyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 168687576
4-chloro-1-(2-iodo-3-methylphenyl)pyrrolidin-2-one
CID 168688338
4-chloro-1-[2-(dimethylamino)-3-pyridinyl]pyrrolidin-2-one
CID 168687595
1-(2-bromo-3-fluorophenyl)-4-chloropyrrolidin-2-one
CID 168689808
4-chloro-1-(2-fluoro-3-pyridinyl)pyrrolidin-2-one
CID 168689859
4-chloro-1-(2,4-dimethylphenyl)pyrrolidin-2-one
CID 168688073
4-chloro-1-[2-(2,2,2-trifluoroethoxy)phenyl]pyrrolidin-2-one
CID 168689411

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one (CID 168687930) is 4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one is CP(C)(=O)c1ccccc1N1CC(Cl)CC1=O.
What is the InChIKey of 4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one?
The InChIKey is PWGWJQKDXYTEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClNO2P/c1-17(2,16)11-6-4-3-5-10(11)14-8-9(13)7-12(14)15/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one?
4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one has a molecular weight of 271.68 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(2-dimethylphosphorylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168687930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).