3-benzyl-1-phenylpyrrolidine-2,5-dione

C17H15NO2 — CID 622117

IUPAC3-benzyl-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H15NO2/c19-16-12-14(11-13-7-3-1-4-8-13)17(20)18(16)15-9-5-2-6-10-15/h1-10,14H,11-12H2
InChIKeyRGGPNVTYTRJZMX-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.81
Rot. Bonds3

About 3-benzyl-1-phenylpyrrolidine-2,5-dione

3-benzyl-1-phenylpyrrolidine-2,5-dione (PubChem CID 622117) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-benzyl-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-phenylpyrrolidine-2,5-dione
PubChem CID622117
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-benzyl-1-phenylpyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccccc2)C(=O)N1c1ccccc1
InChIInChI=1S/C17H15NO2/c19-16-12-14(11-13-7-3-1-4-8-13)17(20)18(16)15-9-5-2-6-10-15/h1-10,14H,11-12H2
InChIKeyRGGPNVTYTRJZMX-UHFFFAOYSA-N
XLogP2.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.81
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 3-benzyl-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3-benzyl-1-phenylpyrrolidine-2,5-dione (CID 622117) is 3-benzyl-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3-benzyl-1-phenylpyrrolidine-2,5-dione is O=C1CC(Cc2ccccc2)C(=O)N1c1ccccc1.
What is the InChIKey of 3-benzyl-1-phenylpyrrolidine-2,5-dione?
The InChIKey is RGGPNVTYTRJZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c19-16-12-14(11-13-7-3-1-4-8-13)17(20)18(16)15-9-5-2-6-10-15/h1-10,14H,11-12H2.
What are the key properties of 3-benzyl-1-phenylpyrrolidine-2,5-dione?
3-benzyl-1-phenylpyrrolidine-2,5-dione has a molecular weight of 265.31 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 622117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).