1-benzylpyrrolidine-2,4-dione

C11H11NO2 — CID 10631496

IUPAC1-benzylpyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C11H11NO2/c13-10-6-11(14)12(8-10)7-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyQELVYIQQUJJODY-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.99
Rot. Bonds2

About 1-benzylpyrrolidine-2,4-dione

1-benzylpyrrolidine-2,4-dione (PubChem CID 10631496) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-benzylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name1-benzylpyrrolidine-2,4-dione
PubChem CID10631496
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-benzylpyrrolidine-2,4-dione
SMILESO=C1CC(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C11H11NO2/c13-10-6-11(14)12(8-10)7-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyQELVYIQQUJJODY-UHFFFAOYSA-N
XLogP0.99
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-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

Related Compounds

1-(Phenylmethyl)-2,5-pyrrolidinedione
CID 95241
1-Benzyl-3-pyrrolidone
CID 79176
2,5-Pyrrolidinedione, 1-(2-phenylethyl)-
CID 95826
5-Acetyl-1-benzylpyrrolidin-2-one
CID 19834189
Acetoacetobenzylamide
CID 70159
1-Benzylpiperidine-2,4-dione
CID 22495541
3-Piperidinone, 1-(phenylmethyl)-
CID 96650
1-(1-Benzylpyrrolidin-3-yl)ethan-1-one
CID 357952
1-Pyrrolidineacetamide, 2-oxo-N-(phenylmethyl)-
CID 854073
2-Pyrrolidinone, 1-((4-fluorophenyl)methyl)-
CID 3045446
2-Pyrrolidinone, 5-methoxy-1-(phenylmethyl)-, (+-)-
CID 3077957
1-Benzylpyrrolidine-2,3-dione
CID 11171472

Frequently Asked Questions

What is the IUPAC name of 1-benzylpyrrolidine-2,4-dione?
The IUPAC name of 1-benzylpyrrolidine-2,4-dione (CID 10631496) is 1-benzylpyrrolidine-2,4-dione.
What is the SMILES notation for 1-benzylpyrrolidine-2,4-dione?
The canonical SMILES for 1-benzylpyrrolidine-2,4-dione is O=C1CC(=O)N(Cc2ccccc2)C1.
What is the InChIKey of 1-benzylpyrrolidine-2,4-dione?
The InChIKey is QELVYIQQUJJODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c13-10-6-11(14)12(8-10)7-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 1-benzylpyrrolidine-2,4-dione?
1-benzylpyrrolidine-2,4-dione has a molecular weight of 189.21 g/mol, XLogP of 0.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylpyrrolidine-2,4-dione is sourced from PubChem (CID 10631496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).