3-anilino-4-phenylpyrrole-2,5-dione

C16H12N2O2 — CID 6539451

IUPAC3-anilino-4-phenylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2)=C1Nc1ccccc1
InChIInChI=1S/C16H12N2O2/c19-15-13(11-7-3-1-4-8-11)14(16(20)18-15)17-12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20)
InChIKeyACQZMAJVOPRMQJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.17
Rot. Bonds3

About 3-anilino-4-phenylpyrrole-2,5-dione

3-anilino-4-phenylpyrrole-2,5-dione (PubChem CID 6539451) has the molecular formula C16H12N2O2 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-anilino-4-phenylpyrrole-2,5-dione.

Molecular Properties

Compound Name3-anilino-4-phenylpyrrole-2,5-dione
PubChem CID6539451
Molecular FormulaC16H12N2O2
Molecular Weight264.28 g/mol
Exact Mass264.09
IUPAC Name3-anilino-4-phenylpyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccccc2)=C1Nc1ccccc1
InChIInChI=1S/C16H12N2O2/c19-15-13(11-7-3-1-4-8-11)14(16(20)18-15)17-12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20)
InChIKeyACQZMAJVOPRMQJ-UHFFFAOYSA-N
XLogP2.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-anilino-4-phenylpyrrole-2,5-dione?
The IUPAC name of 3-anilino-4-phenylpyrrole-2,5-dione (CID 6539451) is 3-anilino-4-phenylpyrrole-2,5-dione.
What is the SMILES notation for 3-anilino-4-phenylpyrrole-2,5-dione?
The canonical SMILES for 3-anilino-4-phenylpyrrole-2,5-dione is O=C1NC(=O)C(c2ccccc2)=C1Nc1ccccc1.
What is the InChIKey of 3-anilino-4-phenylpyrrole-2,5-dione?
The InChIKey is ACQZMAJVOPRMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O2/c19-15-13(11-7-3-1-4-8-11)14(16(20)18-15)17-12-9-5-2-6-10-12/h1-10H,(H2,17,18,19,20).
What are the key properties of 3-anilino-4-phenylpyrrole-2,5-dione?
3-anilino-4-phenylpyrrole-2,5-dione has a molecular weight of 264.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-4-phenylpyrrole-2,5-dione is sourced from PubChem (CID 6539451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).