5-benzylpyrrolidine-2,4-dione

C11H11NO2 — CID 13197669

IUPAC5-benzylpyrrolidine-2,4-dione
SMILESO=C1CC(=O)C(Cc2ccccc2)N1
InChIInChI=1S/C11H11NO2/c13-10-7-11(14)12-9(10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)
InChIKeyKXJCIAXLTIETRA-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.69
Rot. Bonds2

About 5-benzylpyrrolidine-2,4-dione

5-benzylpyrrolidine-2,4-dione (PubChem CID 13197669) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-benzylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name5-benzylpyrrolidine-2,4-dione
PubChem CID13197669
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name5-benzylpyrrolidine-2,4-dione
SMILESO=C1CC(=O)C(Cc2ccccc2)N1
InChIInChI=1S/C11H11NO2/c13-10-7-11(14)12-9(10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14)
InChIKeyKXJCIAXLTIETRA-UHFFFAOYSA-N
XLogP0.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-benzylpyrrolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-benzylpyrrolidine-2,4-dione?
The IUPAC name of 5-benzylpyrrolidine-2,4-dione (CID 13197669) is 5-benzylpyrrolidine-2,4-dione.
What is the SMILES notation for 5-benzylpyrrolidine-2,4-dione?
The canonical SMILES for 5-benzylpyrrolidine-2,4-dione is O=C1CC(=O)C(Cc2ccccc2)N1.
What is the InChIKey of 5-benzylpyrrolidine-2,4-dione?
The InChIKey is KXJCIAXLTIETRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-10-7-11(14)12-9(10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,12,14).
What are the key properties of 5-benzylpyrrolidine-2,4-dione?
5-benzylpyrrolidine-2,4-dione has a molecular weight of 189.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylpyrrolidine-2,4-dione is sourced from PubChem (CID 13197669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).