1-hydroxy-3-methoxypyrrole-2,5-diol

C5H7NO4 — CID 90835649

IUPAC1-hydroxy-3-methoxypyrrole-2,5-diol
SMILESCOc1cc(O)n(O)c1O
InChIInChI=1S/C5H7NO4/c1-10-3-2-4(7)6(9)5(3)8/h2,7-9H,1H3
InChIKeyGANAAGRDVUCTFM-UHFFFAOYSA-N
MW145.11 g/mol
LogP0.15
Rot. Bonds1

About 1-hydroxy-3-methoxypyrrole-2,5-diol

1-hydroxy-3-methoxypyrrole-2,5-diol (PubChem CID 90835649) has the molecular formula C5H7NO4 and a molecular weight of 145.11 g/mol. Its IUPAC name is 1-hydroxy-3-methoxypyrrole-2,5-diol.

Molecular Properties

Compound Name1-hydroxy-3-methoxypyrrole-2,5-diol
PubChem CID90835649
Molecular FormulaC5H7NO4
Molecular Weight145.11 g/mol
Exact Mass145.04
IUPAC Name1-hydroxy-3-methoxypyrrole-2,5-diol
SMILESCOc1cc(O)n(O)c1O
InChIInChI=1S/C5H7NO4/c1-10-3-2-4(7)6(9)5(3)8/h2,7-9H,1H3
InChIKeyGANAAGRDVUCTFM-UHFFFAOYSA-N
XLogP0.15
TPSA74.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-methoxypyrrole-2,5-diol?
The IUPAC name of 1-hydroxy-3-methoxypyrrole-2,5-diol (CID 90835649) is 1-hydroxy-3-methoxypyrrole-2,5-diol.
What is the SMILES notation for 1-hydroxy-3-methoxypyrrole-2,5-diol?
The canonical SMILES for 1-hydroxy-3-methoxypyrrole-2,5-diol is COc1cc(O)n(O)c1O.
What is the InChIKey of 1-hydroxy-3-methoxypyrrole-2,5-diol?
The InChIKey is GANAAGRDVUCTFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO4/c1-10-3-2-4(7)6(9)5(3)8/h2,7-9H,1H3.
What are the key properties of 1-hydroxy-3-methoxypyrrole-2,5-diol?
1-hydroxy-3-methoxypyrrole-2,5-diol has a molecular weight of 145.11 g/mol, XLogP of 0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-methoxypyrrole-2,5-diol is sourced from PubChem (CID 90835649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).