3-(4-benzylphenyl)pyrrole-2,5-dione

C17H13NO2 — CID 21270814

IUPAC3-(4-benzylphenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2ccc(Cc3ccccc3)cc2)C(=O)N1
InChIInChI=1S/C17H13NO2/c19-16-11-15(17(20)18-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19,20)
InChIKeyCNMAGAMUIGPWNK-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.32
Rot. Bonds3

About 3-(4-benzylphenyl)pyrrole-2,5-dione

3-(4-benzylphenyl)pyrrole-2,5-dione (PubChem CID 21270814) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(4-benzylphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(4-benzylphenyl)pyrrole-2,5-dione
PubChem CID21270814
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name3-(4-benzylphenyl)pyrrole-2,5-dione
SMILESO=C1C=C(c2ccc(Cc3ccccc3)cc2)C(=O)N1
InChIInChI=1S/C17H13NO2/c19-16-11-15(17(20)18-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19,20)
InChIKeyCNMAGAMUIGPWNK-UHFFFAOYSA-N
XLogP2.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
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-(4-benzylphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(4-benzylphenyl)pyrrole-2,5-dione (CID 21270814) is 3-(4-benzylphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(4-benzylphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(4-benzylphenyl)pyrrole-2,5-dione is O=C1C=C(c2ccc(Cc3ccccc3)cc2)C(=O)N1.
What is the InChIKey of 3-(4-benzylphenyl)pyrrole-2,5-dione?
The InChIKey is CNMAGAMUIGPWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c19-16-11-15(17(20)18-16)14-8-6-13(7-9-14)10-12-4-2-1-3-5-12/h1-9,11H,10H2,(H,18,19,20).
What are the key properties of 3-(4-benzylphenyl)pyrrole-2,5-dione?
3-(4-benzylphenyl)pyrrole-2,5-dione has a molecular weight of 263.30 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 21270814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).