1-anilino-3-ethyl-3-methylpyrrolidine-2,5-dione

C13H16N2O2 — CID 44585354

IUPAC1-anilino-3-ethyl-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(Nc2ccccc2)C1=O
InChIInChI=1S/C13H16N2O2/c1-3-13(2)9-11(16)15(12(13)17)14-10-7-5-4-6-8-10/h4-8,14H,3,9H2,1-2H3
InChIKeyKVSJSGQQZAWIOJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.19
Rot. Bonds3

About 1-anilino-3-ethyl-3-methylpyrrolidine-2,5-dione

1-anilino-3-ethyl-3-methylpyrrolidine-2,5-dione (PubChem CID 44585354) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1-anilino-3-ethyl-3-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-anilino-3-ethyl-3-methylpyrrolidine-2,5-dione
PubChem CID44585354
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1-anilino-3-ethyl-3-methylpyrrolidine-2,5-dione
SMILESCCC1(C)CC(=O)N(Nc2ccccc2)C1=O
InChIInChI=1S/C13H16N2O2/c1-3-13(2)9-11(16)15(12(13)17)14-10-7-5-4-6-8-10/h4-8,14H,3,9H2,1-2H3
InChIKeyKVSJSGQQZAWIOJ-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.19
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-anilino-3-ethyl-3-methylpyrrolidine-2,5-dione?
The IUPAC name of 1-anilino-3-ethyl-3-methylpyrrolidine-2,5-dione (CID 44585354) is 1-anilino-3-ethyl-3-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-anilino-3-ethyl-3-methylpyrrolidine-2,5-dione?
The canonical SMILES for 1-anilino-3-ethyl-3-methylpyrrolidine-2,5-dione is CCC1(C)CC(=O)N(Nc2ccccc2)C1=O.
What is the InChIKey of 1-anilino-3-ethyl-3-methylpyrrolidine-2,5-dione?
The InChIKey is KVSJSGQQZAWIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-13(2)9-11(16)15(12(13)17)14-10-7-5-4-6-8-10/h4-8,14H,3,9H2,1-2H3.
What are the key properties of 1-anilino-3-ethyl-3-methylpyrrolidine-2,5-dione?
1-anilino-3-ethyl-3-methylpyrrolidine-2,5-dione has a molecular weight of 232.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3-ethyl-3-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 44585354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).