3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione

C17H16NO3P — CID 175507545

IUPAC3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(P(=O)(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C17H16NO3P/c1-18-16(19)12-15(17(18)20)22(21,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyUPJPHTUQFQRFBL-UHFFFAOYSA-N
MW313.29 g/mol
LogP1.76
Rot. Bonds3

About 3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione

3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione (PubChem CID 175507545) has the molecular formula C17H16NO3P and a molecular weight of 313.29 g/mol. Its IUPAC name is 3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione
PubChem CID175507545
Molecular FormulaC17H16NO3P
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC Name3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(P(=O)(c2ccccc2)c2ccccc2)C1=O
InChIInChI=1S/C17H16NO3P/c1-18-16(19)12-15(17(18)20)22(21,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3
InChIKeyUPJPHTUQFQRFBL-UHFFFAOYSA-N
XLogP1.76
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione (CID 175507545) is 3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(P(=O)(c2ccccc2)c2ccccc2)C1=O.
What is the InChIKey of 3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione?
The InChIKey is UPJPHTUQFQRFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16NO3P/c1-18-16(19)12-15(17(18)20)22(21,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-11,15H,12H2,1H3.
What are the key properties of 3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione?
3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione has a molecular weight of 313.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphoryl-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 175507545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).