5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione

C12H10Cl3NO2 — CID 70538548

IUPAC5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione
SMILESCC1(C)C(=O)C(Cl)N(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C12H10Cl3NO2/c1-12(2)9(17)10(15)16(11(12)18)8-4-3-6(13)5-7(8)14/h3-5,10H,1-2H3
InChIKeyKCJJEVVHCBKZFQ-UHFFFAOYSA-N
MW306.58 g/mol
LogP3.50
Rot. Bonds1

About 5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione

5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione (PubChem CID 70538548) has the molecular formula C12H10Cl3NO2 and a molecular weight of 306.58 g/mol. Its IUPAC name is 5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione
PubChem CID70538548
Molecular FormulaC12H10Cl3NO2
Molecular Weight306.58 g/mol
Exact Mass304.98
IUPAC Name5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione
SMILESCC1(C)C(=O)C(Cl)N(c2ccc(Cl)cc2Cl)C1=O
InChIInChI=1S/C12H10Cl3NO2/c1-12(2)9(17)10(15)16(11(12)18)8-4-3-6(13)5-7(8)14/h3-5,10H,1-2H3
InChIKeyKCJJEVVHCBKZFQ-UHFFFAOYSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.58
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione?
The IUPAC name of 5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione (CID 70538548) is 5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione?
The canonical SMILES for 5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione is CC1(C)C(=O)C(Cl)N(c2ccc(Cl)cc2Cl)C1=O.
What is the InChIKey of 5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione?
The InChIKey is KCJJEVVHCBKZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3NO2/c1-12(2)9(17)10(15)16(11(12)18)8-4-3-6(13)5-7(8)14/h3-5,10H,1-2H3.
What are the key properties of 5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione?
5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione has a molecular weight of 306.58 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2,4-dichlorophenyl)-3,3-dimethylpyrrolidine-2,4-dione is sourced from PubChem (CID 70538548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).