1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one

C13H14ClNO2 — CID 63104444

IUPAC1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(CC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C13H14ClNO2/c1-9-6-13(17)15(7-9)8-12(16)10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3
InChIKeyZFXJIZFTCMAESW-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.39
Rot. Bonds3

About 1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one

1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one (PubChem CID 63104444) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
PubChem CID63104444
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
SMILESCC1CC(=O)N(CC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C13H14ClNO2/c1-9-6-13(17)15(7-9)8-12(16)10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3
InChIKeyZFXJIZFTCMAESW-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-bromophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63102277
4-methyl-1-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]pyrrolidin-2-one
CID 63102645
4-methyl-1-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]pyrrolidin-2-one
CID 63102450
1-[2-(2-chlorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 62018810
1-[2-(4-ethylphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 55177462
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384
1-[2-(2-chlorophenyl)-2-oxoethyl]azepan-2-one
CID 62024083
1-(2-chlorophenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)ethanone
CID 106670373
1-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one
CID 63102449
4-tert-butyl-1-[2-(2-fluorophenyl)-2-oxoethyl]pyrrolidin-2-one
CID 104512277
4-methyl-1-(4-oxo-4-phenylbutyl)pyrrolidin-2-one
CID 63102458
methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
CID 170372389

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one?
The IUPAC name of 1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one (CID 63104444) is 1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one is CC1CC(=O)N(CC(=O)c2ccccc2Cl)C1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one?
The InChIKey is ZFXJIZFTCMAESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-9-6-13(17)15(7-9)8-12(16)10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3.
What are the key properties of 1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one?
1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one has a molecular weight of 251.71 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-2-oxoethyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 63104444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).