3-benzyl-3-phenylpyrrolidine-2,5-dione

C17H15NO2 — CID 2843283

IUPAC3-benzyl-3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccccc2)(c2ccccc2)C(=O)N1
InChIInChI=1S/C17H15NO2/c19-15-12-17(16(20)18-15,14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,19,20)
InChIKeyAVJQHKLYKVLHBK-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.21
Rot. Bonds3

About 3-benzyl-3-phenylpyrrolidine-2,5-dione

3-benzyl-3-phenylpyrrolidine-2,5-dione (PubChem CID 2843283) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-benzyl-3-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-3-phenylpyrrolidine-2,5-dione
PubChem CID2843283
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-benzyl-3-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccccc2)(c2ccccc2)C(=O)N1
InChIInChI=1S/C17H15NO2/c19-15-12-17(16(20)18-15,14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,19,20)
InChIKeyAVJQHKLYKVLHBK-UHFFFAOYSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 3487
Methsuximide
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Fenimide
CID 6068
1-Pyrrolidinebutyramide, alpha,alpha-diphenyl-
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(+-)-alpha-Methyl-alpha-phenylsuccinimide
CID 92154
3-Phenylpyrrolidine-2,5-dione
CID 568890
alpha,alpha-Diphenylsuccinimide
CID 160692
5,5-Dimethyl-4-phenylpyrrolidin-2-one
CID 12560815
2,7-difluorospiro[9H-fluorene-9,3''-(tetrahydro-1''H-pyrrole)]-2'',5''-dione
CID 10356568
1-phenyl-N-(2-phenylethyl)cyclopentane-1-carboxamide
CID 1319645
3-Phenyl-2,6-piperidinedione
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2-Pyrrolidinone, 3-phenyl-
CID 201789

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-benzyl-3-phenylpyrrolidine-2,5-dione (CID 2843283) is 3-benzyl-3-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-3-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-benzyl-3-phenylpyrrolidine-2,5-dione is O=C1CC(Cc2ccccc2)(c2ccccc2)C(=O)N1.
What is the InChIKey of 3-benzyl-3-phenylpyrrolidine-2,5-dione?
The InChIKey is AVJQHKLYKVLHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-15-12-17(16(20)18-15,14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,18,19,20).
What are the key properties of 3-benzyl-3-phenylpyrrolidine-2,5-dione?
3-benzyl-3-phenylpyrrolidine-2,5-dione has a molecular weight of 265.31 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 2843283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).