1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione

C13H12ClNO3 — CID 62023455

IUPAC1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC(=O)c2cccc(Cl)c2)C1=O
InChIInChI=1S/C13H12ClNO3/c1-8-5-12(17)15(13(8)18)7-11(16)9-3-2-4-10(14)6-9/h2-4,6,8H,5,7H2,1H3
InChIKeyLTHDNPYBQZVWME-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.92
Rot. Bonds3

About 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione

1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione (PubChem CID 62023455) has the molecular formula C13H12ClNO3 and a molecular weight of 265.70 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
PubChem CID62023455
Molecular FormulaC13H12ClNO3
Molecular Weight265.70 g/mol
Exact Mass265.05
IUPAC Name1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(CC(=O)c2cccc(Cl)c2)C1=O
InChIInChI=1S/C13H12ClNO3/c1-8-5-12(17)15(13(8)18)7-11(16)9-3-2-4-10(14)6-9/h2-4,6,8H,5,7H2,1H3
InChIKeyLTHDNPYBQZVWME-UHFFFAOYSA-N
XLogP1.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(3-fluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62023260
3-[2-(3-chlorophenyl)-2-oxoethyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835871
2-[2-(3-chlorophenyl)-2-oxoethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513676
1-[2-(4-fluorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 55136659
1-[2-(5-chlorothiophen-2-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62023826
1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylimidazolidine-2,4,5-trione
CID 60623692
1-[2-(4-chlorophenyl)-2-oxoethyl]-4-methylpiperidine-2,6-dione
CID 79506256
1-(3-chlorophenyl)-3-methylpyrrolidine-2,5-dione
CID 71519662
1-[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione
CID 62023077
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17457674
3-[2-(3-chlorophenyl)-2-oxoethyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 17413736
1-[2-(3-chlorophenyl)-2-oxoethyl]-3-ethylimidazol-2-one
CID 80580912

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione (CID 62023455) is 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(CC(=O)c2cccc(Cl)c2)C1=O.
What is the InChIKey of 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
The InChIKey is LTHDNPYBQZVWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO3/c1-8-5-12(17)15(13(8)18)7-11(16)9-3-2-4-10(14)6-9/h2-4,6,8H,5,7H2,1H3.
What are the key properties of 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione?
1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione has a molecular weight of 265.70 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-2-oxoethyl]-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 62023455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).