4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione

C11H7Cl2NO3 — CID 90718788

IUPAC4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione
SMILESCN1C(=O)C(=O)C(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C11H7Cl2NO3/c1-14-10(16)8(9(15)11(14)17)6-3-2-5(12)4-7(6)13/h2-4,8H,1H3
InChIKeyUYJYKXKTCSYXSK-UHFFFAOYSA-N
MW272.09 g/mol
LogP1.64
Rot. Bonds1

About 4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione

4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione (PubChem CID 90718788) has the molecular formula C11H7Cl2NO3 and a molecular weight of 272.09 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione
PubChem CID90718788
Molecular FormulaC11H7Cl2NO3
Molecular Weight272.09 g/mol
Exact Mass270.98
IUPAC Name4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione
SMILESCN1C(=O)C(=O)C(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C11H7Cl2NO3/c1-14-10(16)8(9(15)11(14)17)6-3-2-5(12)4-7(6)13/h2-4,8H,1H3
InChIKeyUYJYKXKTCSYXSK-UHFFFAOYSA-N
XLogP1.64
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.09
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione?
The IUPAC name of 4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione (CID 90718788) is 4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione?
The canonical SMILES for 4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione is CN1C(=O)C(=O)C(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione?
The InChIKey is UYJYKXKTCSYXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2NO3/c1-14-10(16)8(9(15)11(14)17)6-3-2-5(12)4-7(6)13/h2-4,8H,1H3.
What are the key properties of 4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione?
4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione has a molecular weight of 272.09 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione is sourced from PubChem (CID 90718788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).