3-methoxy-1H-pyrrole-2,5-diol

C5H7NO3 — CID 54494577

IUPAC3-methoxy-1H-pyrrole-2,5-diol
SMILESCOc1cc(O)[nH]c1O
InChIInChI=1S/C5H7NO3/c1-9-3-2-4(7)6-5(3)8/h2,6-8H,1H3
InChIKeyZNGAWXUQUXUVGT-UHFFFAOYSA-N
MW129.11 g/mol
LogP0.43
Rot. Bonds1

About 3-methoxy-1H-pyrrole-2,5-diol

3-methoxy-1H-pyrrole-2,5-diol (PubChem CID 54494577) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 3-methoxy-1H-pyrrole-2,5-diol.

Molecular Properties

Compound Name3-methoxy-1H-pyrrole-2,5-diol
PubChem CID54494577
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name3-methoxy-1H-pyrrole-2,5-diol
SMILESCOc1cc(O)[nH]c1O
InChIInChI=1S/C5H7NO3/c1-9-3-2-4(7)6-5(3)8/h2,6-8H,1H3
InChIKeyZNGAWXUQUXUVGT-UHFFFAOYSA-N
XLogP0.43
TPSA65.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-methoxy-1H-pyrrole-2,5-diol 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-methoxy-1H-pyrrole-2,5-diol?
The IUPAC name of 3-methoxy-1H-pyrrole-2,5-diol (CID 54494577) is 3-methoxy-1H-pyrrole-2,5-diol.
What is the SMILES notation for 3-methoxy-1H-pyrrole-2,5-diol?
The canonical SMILES for 3-methoxy-1H-pyrrole-2,5-diol is COc1cc(O)[nH]c1O.
What is the InChIKey of 3-methoxy-1H-pyrrole-2,5-diol?
The InChIKey is ZNGAWXUQUXUVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c1-9-3-2-4(7)6-5(3)8/h2,6-8H,1H3.
What are the key properties of 3-methoxy-1H-pyrrole-2,5-diol?
3-methoxy-1H-pyrrole-2,5-diol has a molecular weight of 129.11 g/mol, XLogP of 0.43, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1H-pyrrole-2,5-diol is sourced from PubChem (CID 54494577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).