1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione

C11H9NO4 — CID 11298944

IUPAC1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=CC(=O)N(O)C2=O)cc1
InChIInChI=1S/C11H9NO4/c1-16-8-4-2-7(3-5-8)9-6-10(13)12(15)11(9)14/h2-6,15H,1H3
InChIKeyXRUZKKNRIAUJAK-UHFFFAOYSA-N
MW219.20 g/mol
LogP0.84
Rot. Bonds2

About 1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione

1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione (PubChem CID 11298944) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione
PubChem CID11298944
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione
SMILESCOc1ccc(C2=CC(=O)N(O)C2=O)cc1
InChIInChI=1S/C11H9NO4/c1-16-8-4-2-7(3-5-8)9-6-10(13)12(15)11(9)14/h2-6,15H,1H3
InChIKeyXRUZKKNRIAUJAK-UHFFFAOYSA-N
XLogP0.84
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione?
The IUPAC name of 1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione (CID 11298944) is 1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione is COc1ccc(C2=CC(=O)N(O)C2=O)cc1.
What is the InChIKey of 1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione?
The InChIKey is XRUZKKNRIAUJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c1-16-8-4-2-7(3-5-8)9-6-10(13)12(15)11(9)14/h2-6,15H,1H3.
What are the key properties of 1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione?
1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione has a molecular weight of 219.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(4-methoxyphenyl)pyrrole-2,5-dione is sourced from PubChem (CID 11298944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).