1-benzyl-3,4-diethylpyrrolidine-2,5-dione

C15H19NO2 — CID 101486749

IUPAC1-benzyl-3,4-diethylpyrrolidine-2,5-dione
SMILESCCC1C(=O)N(Cc2ccccc2)C(=O)C1CC
InChIInChI=1S/C15H19NO2/c1-3-12-13(4-2)15(18)16(14(12)17)10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKeyKCEKIJYSTMPCGE-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.61
Rot. Bonds4

About 1-benzyl-3,4-diethylpyrrolidine-2,5-dione

1-benzyl-3,4-diethylpyrrolidine-2,5-dione (PubChem CID 101486749) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-benzyl-3,4-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3,4-diethylpyrrolidine-2,5-dione
PubChem CID101486749
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1-benzyl-3,4-diethylpyrrolidine-2,5-dione
SMILESCCC1C(=O)N(Cc2ccccc2)C(=O)C1CC
InChIInChI=1S/C15H19NO2/c1-3-12-13(4-2)15(18)16(14(12)17)10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3
InChIKeyKCEKIJYSTMPCGE-UHFFFAOYSA-N
XLogP2.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.61
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-benzyl-3,4-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3,4-diethylpyrrolidine-2,5-dione (CID 101486749) is 1-benzyl-3,4-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3,4-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3,4-diethylpyrrolidine-2,5-dione is CCC1C(=O)N(Cc2ccccc2)C(=O)C1CC.
What is the InChIKey of 1-benzyl-3,4-diethylpyrrolidine-2,5-dione?
The InChIKey is KCEKIJYSTMPCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-12-13(4-2)15(18)16(14(12)17)10-11-8-6-5-7-9-11/h5-9,12-13H,3-4,10H2,1-2H3.
What are the key properties of 1-benzyl-3,4-diethylpyrrolidine-2,5-dione?
1-benzyl-3,4-diethylpyrrolidine-2,5-dione has a molecular weight of 245.32 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,4-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 101486749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).