1-(3,5-dichlorophenyl)-3-methylpyrrolidine-2,5-dione

C11H9Cl2NO2 — CID 13053807

IUPAC1-(3,5-dichlorophenyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C11H9Cl2NO2/c1-6-2-10(15)14(11(6)16)9-4-7(12)3-8(13)5-9/h3-6H,2H2,1H3
InChIKeyHXXUGXUVNWKAHC-UHFFFAOYSA-N
MW258.10 g/mol
LogP2.89
Rot. Bonds1

About 1-(3,5-dichlorophenyl)-3-methylpyrrolidine-2,5-dione

1-(3,5-dichlorophenyl)-3-methylpyrrolidine-2,5-dione (PubChem CID 13053807) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-3-methylpyrrolidine-2,5-dione
PubChem CID13053807
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Name1-(3,5-dichlorophenyl)-3-methylpyrrolidine-2,5-dione
SMILESCC1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O
InChIInChI=1S/C11H9Cl2NO2/c1-6-2-10(15)14(11(6)16)9-4-7(12)3-8(13)5-9/h3-6H,2H2,1H3
InChIKeyHXXUGXUVNWKAHC-UHFFFAOYSA-N
XLogP2.89
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(3,5-dichlorophenyl)-3-methylpyrrolidine-2,5-dione (CID 13053807) is 1-(3,5-dichlorophenyl)-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(3,5-dichlorophenyl)-3-methylpyrrolidine-2,5-dione is CC1CC(=O)N(c2cc(Cl)cc(Cl)c2)C1=O.
What is the InChIKey of 1-(3,5-dichlorophenyl)-3-methylpyrrolidine-2,5-dione?
The InChIKey is HXXUGXUVNWKAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c1-6-2-10(15)14(11(6)16)9-4-7(12)3-8(13)5-9/h3-6H,2H2,1H3.
What are the key properties of 1-(3,5-dichlorophenyl)-3-methylpyrrolidine-2,5-dione?
1-(3,5-dichlorophenyl)-3-methylpyrrolidine-2,5-dione has a molecular weight of 258.10 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 13053807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).