1-[(4-phenylphenyl)methyl]pyrrole-2,5-dione

C17H13NO2 — CID 45483984

IUPAC1-[(4-phenylphenyl)methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H13NO2/c19-16-10-11-17(20)18(16)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12H2
InChIKeyLMMOMHSYMJTOJF-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.78
Rot. Bonds3

About 1-[(4-phenylphenyl)methyl]pyrrole-2,5-dione

1-[(4-phenylphenyl)methyl]pyrrole-2,5-dione (PubChem CID 45483984) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[(4-phenylphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(4-phenylphenyl)methyl]pyrrole-2,5-dione
PubChem CID45483984
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name1-[(4-phenylphenyl)methyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H13NO2/c19-16-10-11-17(20)18(16)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12H2
InChIKeyLMMOMHSYMJTOJF-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.78
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 1-[(4-phenylphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(4-phenylphenyl)methyl]pyrrole-2,5-dione (CID 45483984) is 1-[(4-phenylphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(4-phenylphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(4-phenylphenyl)methyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[(4-phenylphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is LMMOMHSYMJTOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c19-16-10-11-17(20)18(16)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-11H,12H2.
What are the key properties of 1-[(4-phenylphenyl)methyl]pyrrole-2,5-dione?
1-[(4-phenylphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 263.30 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-phenylphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 45483984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).