3-(3-hydroxyanilino)-4-phenylpyrrole-2,5-dione

C16H12N2O3 — CID 6539465

IUPAC3-(3-hydroxyanilino)-4-phenylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2)=C1Nc1cccc(O)c1
InChIInChI=1S/C16H12N2O3/c19-12-8-4-7-11(9-12)17-14-13(15(20)18-16(14)21)10-5-2-1-3-6-10/h1-9,19H,(H2,17,18,20,21)
InChIKeyNZWOOXILJLNOHZ-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.87
Rot. Bonds3

About 3-(3-hydroxyanilino)-4-phenylpyrrole-2,5-dione

3-(3-hydroxyanilino)-4-phenylpyrrole-2,5-dione (PubChem CID 6539465) has the molecular formula C16H12N2O3 and a molecular weight of 280.28 g/mol. Its IUPAC name is 3-(3-hydroxyanilino)-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-hydroxyanilino)-4-phenylpyrrole-2,5-dione
PubChem CID6539465
Molecular FormulaC16H12N2O3
Molecular Weight280.28 g/mol
Exact Mass280.08
IUPAC Name3-(3-hydroxyanilino)-4-phenylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2)=C1Nc1cccc(O)c1
InChIInChI=1S/C16H12N2O3/c19-12-8-4-7-11(9-12)17-14-13(15(20)18-16(14)21)10-5-2-1-3-6-10/h1-9,19H,(H2,17,18,20,21)
InChIKeyNZWOOXILJLNOHZ-UHFFFAOYSA-N
XLogP1.87
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(3-hydroxyanilino)-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-(3-hydroxyanilino)-4-phenylpyrrole-2,5-dione (CID 6539465) is 3-(3-hydroxyanilino)-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-(3-hydroxyanilino)-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-(3-hydroxyanilino)-4-phenylpyrrole-2,5-dione is O=C1NC(=O)C(c2ccccc2)=C1Nc1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyanilino)-4-phenylpyrrole-2,5-dione?
The InChIKey is NZWOOXILJLNOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O3/c19-12-8-4-7-11(9-12)17-14-13(15(20)18-16(14)21)10-5-2-1-3-6-10/h1-9,19H,(H2,17,18,20,21).
What are the key properties of 3-(3-hydroxyanilino)-4-phenylpyrrole-2,5-dione?
3-(3-hydroxyanilino)-4-phenylpyrrole-2,5-dione has a molecular weight of 280.28 g/mol, XLogP of 1.87, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyanilino)-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 6539465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).