5,5-diphenylpyrrolidine-2,4-dione

C16H13NO2 — CID 58992525

IUPAC5,5-diphenylpyrrolidine-2,4-dione
SMILESO=C1CC(=O)C(c2ccccc2)(c2ccccc2)N1
InChIInChI=1S/C16H13NO2/c18-14-11-15(19)17-16(14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19)
InChIKeyHTGUSBXVTDBNCX-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.02
Rot. Bonds2

About 5,5-diphenylpyrrolidine-2,4-dione

5,5-diphenylpyrrolidine-2,4-dione (PubChem CID 58992525) has the molecular formula C16H13NO2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5,5-diphenylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name5,5-diphenylpyrrolidine-2,4-dione
PubChem CID58992525
Molecular FormulaC16H13NO2
Molecular Weight251.29 g/mol
Exact Mass251.09
IUPAC Name5,5-diphenylpyrrolidine-2,4-dione
SMILESO=C1CC(=O)C(c2ccccc2)(c2ccccc2)N1
InChIInChI=1S/C16H13NO2/c18-14-11-15(19)17-16(14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19)
InChIKeyHTGUSBXVTDBNCX-UHFFFAOYSA-N
XLogP2.02
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-diphenylpyrrolidine-2,4-dione?
The IUPAC name of 5,5-diphenylpyrrolidine-2,4-dione (CID 58992525) is 5,5-diphenylpyrrolidine-2,4-dione.
What is the SMILES notation for 5,5-diphenylpyrrolidine-2,4-dione?
The canonical SMILES for 5,5-diphenylpyrrolidine-2,4-dione is O=C1CC(=O)C(c2ccccc2)(c2ccccc2)N1.
What is the InChIKey of 5,5-diphenylpyrrolidine-2,4-dione?
The InChIKey is HTGUSBXVTDBNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO2/c18-14-11-15(19)17-16(14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,17,19).
What are the key properties of 5,5-diphenylpyrrolidine-2,4-dione?
5,5-diphenylpyrrolidine-2,4-dione has a molecular weight of 251.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenylpyrrolidine-2,4-dione is sourced from PubChem (CID 58992525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).