3-(3-hydroxyanilino)-4-(3-methoxyphenyl)pyrrole-2,5-dione

C17H14N2O4 — CID 6539470

IUPAC3-(3-hydroxyanilino)-4-(3-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cccc(C2=C(Nc3cccc(O)c3)C(=O)NC2=O)c1
InChIInChI=1S/C17H14N2O4/c1-23-13-7-2-4-10(8-13)14-15(17(22)19-16(14)21)18-11-5-3-6-12(20)9-11/h2-9,20H,1H3,(H2,18,19,21,22)
InChIKeyGWBKUWJEWLWOTH-UHFFFAOYSA-N
MW310.31 g/mol
LogP1.88
Rot. Bonds4

About 3-(3-hydroxyanilino)-4-(3-methoxyphenyl)pyrrole-2,5-dione

3-(3-hydroxyanilino)-4-(3-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 6539470) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-(3-hydroxyanilino)-4-(3-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3-hydroxyanilino)-4-(3-methoxyphenyl)pyrrole-2,5-dione
PubChem CID6539470
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name3-(3-hydroxyanilino)-4-(3-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1cccc(C2=C(Nc3cccc(O)c3)C(=O)NC2=O)c1
InChIInChI=1S/C17H14N2O4/c1-23-13-7-2-4-10(8-13)14-15(17(22)19-16(14)21)18-11-5-3-6-12(20)9-11/h2-9,20H,1H3,(H2,18,19,21,22)
InChIKeyGWBKUWJEWLWOTH-UHFFFAOYSA-N
XLogP1.88
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(3-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 3-(3-hydroxyanilino)-4-(3-methoxyphenyl)pyrrole-2,5-dione (CID 6539470) is 3-(3-hydroxyanilino)-4-(3-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-(3-hydroxyanilino)-4-(3-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-(3-hydroxyanilino)-4-(3-methoxyphenyl)pyrrole-2,5-dione is COc1cccc(C2=C(Nc3cccc(O)c3)C(=O)NC2=O)c1.
What is the InChIKey of 3-(3-hydroxyanilino)-4-(3-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is GWBKUWJEWLWOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-23-13-7-2-4-10(8-13)14-15(17(22)19-16(14)21)18-11-5-3-6-12(20)9-11/h2-9,20H,1H3,(H2,18,19,21,22).
What are the key properties of 3-(3-hydroxyanilino)-4-(3-methoxyphenyl)pyrrole-2,5-dione?
3-(3-hydroxyanilino)-4-(3-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 310.31 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyanilino)-4-(3-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 6539470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).