1-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione

C13H15ClN2O2 — CID 44585357

IUPAC1-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(Nc2ccccc2Cl)C1=O
InChIInChI=1S/C13H15ClN2O2/c1-3-13(2)8-11(17)16(12(13)18)15-10-7-5-4-6-9(10)14/h4-7,15H,3,8H2,1-2H3
InChIKeyOODZYGOCHMVUEX-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.84
Rot. Bonds3

About 1-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione

1-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione (PubChem CID 44585357) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 1-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione
PubChem CID44585357
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name1-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(Nc2ccccc2Cl)C1=O
InChIInChI=1S/C13H15ClN2O2/c1-3-13(2)8-11(17)16(12(13)18)15-10-7-5-4-6-9(10)14/h4-7,15H,3,8H2,1-2H3
InChIKeyOODZYGOCHMVUEX-UHFFFAOYSA-N
XLogP2.84
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione (CID 44585357) is 1-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione is CCC1(C)CC(=O)N(Nc2ccccc2Cl)C1=O.
What is the InChIKey of 1-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione?
The InChIKey is OODZYGOCHMVUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-3-13(2)8-11(17)16(12(13)18)15-10-7-5-4-6-9(10)14/h4-7,15H,3,8H2,1-2H3.
What are the key properties of 1-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione?
1-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione has a molecular weight of 266.73 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroanilino)-3-ethyl-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 44585357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).