1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione

C16H12N2O2 — CID 167439134

IUPAC1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione
SMILESNc1ccc(N2C(=O)C=C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C16H12N2O2/c17-12-6-8-13(9-7-12)18-15(19)10-14(16(18)20)11-4-2-1-3-5-11/h1-10H,17H2
InChIKeyYFGXDEMIHSEGPM-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.23
Rot. Bonds2

About 1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione

1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione (PubChem CID 167439134) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione
PubChem CID167439134
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione
SMILESNc1ccc(N2C(=O)C=C(c3ccccc3)C2=O)cc1
InChIInChI=1S/C16H12N2O2/c17-12-6-8-13(9-7-12)18-15(19)10-14(16(18)20)11-4-2-1-3-5-11/h1-10H,17H2
InChIKeyYFGXDEMIHSEGPM-UHFFFAOYSA-N
XLogP2.23
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_K(2)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione?
The IUPAC name of 1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione (CID 167439134) is 1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione.
What is the SMILES notation for 1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione?
The canonical SMILES for 1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione is Nc1ccc(N2C(=O)C=C(c3ccccc3)C2=O)cc1.
What is the InChIKey of 1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione?
The InChIKey is YFGXDEMIHSEGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c17-12-6-8-13(9-7-12)18-15(19)10-14(16(18)20)11-4-2-1-3-5-11/h1-10H,17H2.
What are the key properties of 1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione?
1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione has a molecular weight of 264.28 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-3-phenylpyrrole-2,5-dione is sourced from PubChem (CID 167439134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).