1,5-diphenylpyrrole-2,3-dione

C16H11NO2 — CID 10467233

IUPAC1,5-diphenylpyrrole-2,3-dione
SMILESO=C1C=C(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C16H11NO2/c18-15-11-14(12-7-3-1-4-8-12)17(16(15)19)13-9-5-2-6-10-13/h1-11H
InChIKeyGQCWEKOKYPWQJO-UHFFFAOYSA-N
MW249.27 g/mol
LogP2.64
Rot. Bonds2

About 1,5-diphenylpyrrole-2,3-dione

1,5-diphenylpyrrole-2,3-dione (PubChem CID 10467233) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1,5-diphenylpyrrole-2,3-dione.

Molecular Properties

Compound Name1,5-diphenylpyrrole-2,3-dione
PubChem CID10467233
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name1,5-diphenylpyrrole-2,3-dione
SMILESO=C1C=C(c2ccccc2)N(c2ccccc2)C1=O
InChIInChI=1S/C16H11NO2/c18-15-11-14(12-7-3-1-4-8-12)17(16(15)19)13-9-5-2-6-10-13/h1-11H
InChIKeyGQCWEKOKYPWQJO-UHFFFAOYSA-N
XLogP2.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-diphenylpyrrole-2,3-dione?
The IUPAC name of 1,5-diphenylpyrrole-2,3-dione (CID 10467233) is 1,5-diphenylpyrrole-2,3-dione.
What is the SMILES notation for 1,5-diphenylpyrrole-2,3-dione?
The canonical SMILES for 1,5-diphenylpyrrole-2,3-dione is O=C1C=C(c2ccccc2)N(c2ccccc2)C1=O.
What is the InChIKey of 1,5-diphenylpyrrole-2,3-dione?
The InChIKey is GQCWEKOKYPWQJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-15-11-14(12-7-3-1-4-8-12)17(16(15)19)13-9-5-2-6-10-13/h1-11H.
What are the key properties of 1,5-diphenylpyrrole-2,3-dione?
1,5-diphenylpyrrole-2,3-dione has a molecular weight of 249.27 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenylpyrrole-2,3-dione is sourced from PubChem (CID 10467233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).