3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione

C13H13Cl2NO2 — CID 142928635

IUPAC3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
SMILESCc1cc(Cl)cc(Cl)c1C1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H13Cl2NO2/c1-6-4-7(14)5-8(15)9(6)10-11(17)13(2,3)16-12(10)18/h4-5,10H,1-3H3,(H,16,18)
InChIKeyFZJAKNBHKRMXMI-UHFFFAOYSA-N
MW286.16 g/mol
LogP2.86
Rot. Bonds1

About 3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione

3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione (PubChem CID 142928635) has the molecular formula C13H13Cl2NO2 and a molecular weight of 286.16 g/mol. Its IUPAC name is 3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
PubChem CID142928635
Molecular FormulaC13H13Cl2NO2
Molecular Weight286.16 g/mol
Exact Mass285.03
IUPAC Name3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione
SMILESCc1cc(Cl)cc(Cl)c1C1C(=O)NC(C)(C)C1=O
InChIInChI=1S/C13H13Cl2NO2/c1-6-4-7(14)5-8(15)9(6)10-11(17)13(2,3)16-12(10)18/h4-5,10H,1-3H3,(H,16,18)
InChIKeyFZJAKNBHKRMXMI-UHFFFAOYSA-N
XLogP2.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione?
The IUPAC name of 3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione (CID 142928635) is 3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione.
What is the SMILES notation for 3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione?
The canonical SMILES for 3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione is Cc1cc(Cl)cc(Cl)c1C1C(=O)NC(C)(C)C1=O.
What is the InChIKey of 3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione?
The InChIKey is FZJAKNBHKRMXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Cl2NO2/c1-6-4-7(14)5-8(15)9(6)10-11(17)13(2,3)16-12(10)18/h4-5,10H,1-3H3,(H,16,18).
What are the key properties of 3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione?
3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione has a molecular weight of 286.16 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-6-methylphenyl)-5,5-dimethylpyrrolidine-2,4-dione is sourced from PubChem (CID 142928635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).