3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione

C12H11NO5 — CID 11402417

IUPAC3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione
SMILESCOc1cc(OC)cc(C2=CC(=O)N(O)C2=O)c1
InChIInChI=1S/C12H11NO5/c1-17-8-3-7(4-9(5-8)18-2)10-6-11(14)13(16)12(10)15/h3-6,16H,1-2H3
InChIKeyHTKBNAGCTQZSPR-UHFFFAOYSA-N
MW249.22 g/mol
LogP0.85
Rot. Bonds3

About 3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione

3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione (PubChem CID 11402417) has the molecular formula C12H11NO5 and a molecular weight of 249.22 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione
PubChem CID11402417
Molecular FormulaC12H11NO5
Molecular Weight249.22 g/mol
Exact Mass249.06
IUPAC Name3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione
SMILESCOc1cc(OC)cc(C2=CC(=O)N(O)C2=O)c1
InChIInChI=1S/C12H11NO5/c1-17-8-3-7(4-9(5-8)18-2)10-6-11(14)13(16)12(10)15/h3-6,16H,1-2H3
InChIKeyHTKBNAGCTQZSPR-UHFFFAOYSA-N
XLogP0.85
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.22
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione (CID 11402417) is 3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione is COc1cc(OC)cc(C2=CC(=O)N(O)C2=O)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione?
The InChIKey is HTKBNAGCTQZSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO5/c1-17-8-3-7(4-9(5-8)18-2)10-6-11(14)13(16)12(10)15/h3-6,16H,1-2H3.
What are the key properties of 3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione?
3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione has a molecular weight of 249.22 g/mol, XLogP of 0.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-1-hydroxypyrrole-2,5-dione is sourced from PubChem (CID 11402417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).