1-anilino-3,3-diethylpyrrolidine-2,5-dione

C14H18N2O2 — CID 44585391

IUPAC1-anilino-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(Nc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-3-14(4-2)10-12(17)16(13(14)18)15-11-8-6-5-7-9-11/h5-9,15H,3-4,10H2,1-2H3
InChIKeyMPSJYXMSZPPNPM-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.58
Rot. Bonds4

About 1-anilino-3,3-diethylpyrrolidine-2,5-dione

1-anilino-3,3-diethylpyrrolidine-2,5-dione (PubChem CID 44585391) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-anilino-3,3-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-anilino-3,3-diethylpyrrolidine-2,5-dione
PubChem CID44585391
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-anilino-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(Nc2ccccc2)C1=O
InChIInChI=1S/C14H18N2O2/c1-3-14(4-2)10-12(17)16(13(14)18)15-11-8-6-5-7-9-11/h5-9,15H,3-4,10H2,1-2H3
InChIKeyMPSJYXMSZPPNPM-UHFFFAOYSA-N
XLogP2.58
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.58
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-3,3-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-anilino-3,3-diethylpyrrolidine-2,5-dione (CID 44585391) is 1-anilino-3,3-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-anilino-3,3-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-anilino-3,3-diethylpyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(Nc2ccccc2)C1=O.
What is the InChIKey of 1-anilino-3,3-diethylpyrrolidine-2,5-dione?
The InChIKey is MPSJYXMSZPPNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-14(4-2)10-12(17)16(13(14)18)15-11-8-6-5-7-9-11/h5-9,15H,3-4,10H2,1-2H3.
What are the key properties of 1-anilino-3,3-diethylpyrrolidine-2,5-dione?
1-anilino-3,3-diethylpyrrolidine-2,5-dione has a molecular weight of 246.31 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-3,3-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 44585391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).