3-methoxy-1-methylpyrrole-2,5-diol

C6H9NO3 — CID 91452563

IUPAC3-methoxy-1-methylpyrrole-2,5-diol
SMILESCOc1cc(O)n(C)c1O
InChIInChI=1S/C6H9NO3/c1-7-5(8)3-4(10-2)6(7)9/h3,8-9H,1-2H3
InChIKeyPOTMZCASNXKDQL-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.44
Rot. Bonds1

About 3-methoxy-1-methylpyrrole-2,5-diol

3-methoxy-1-methylpyrrole-2,5-diol (PubChem CID 91452563) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 3-methoxy-1-methylpyrrole-2,5-diol.

Molecular Properties

Compound Name3-methoxy-1-methylpyrrole-2,5-diol
PubChem CID91452563
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name3-methoxy-1-methylpyrrole-2,5-diol
SMILESCOc1cc(O)n(C)c1O
InChIInChI=1S/C6H9NO3/c1-7-5(8)3-4(10-2)6(7)9/h3,8-9H,1-2H3
InChIKeyPOTMZCASNXKDQL-UHFFFAOYSA-N
XLogP0.44
TPSA54.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-1-methylpyrrole-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

Related Compounds

1-Methylpyrrole-2,3,5-triol
CID 54548768
1-Ethylpyrrole-2,3,5-triol
CID 54569657
1-Hydroxy-3-methoxypyrrole-2,5-diol
CID 90835649
2,3,5-Trihydroxypyrrole-1-carbaldehyde
CID 53833401
[1-(2-Chloro-2-oxoethyl)-2,5-dihydroxypyrrol-3-yl] acetate
CID 53912863
1-Butylpyrrole-2,3,5-triol
CID 53986990
3-ethoxy-1H-pyrrole-2,5-diol
CID 54054553
(2,5-Dihydroxy-1-methylpyrrol-3-yl) prop-2-enoate
CID 54151769
1-Propan-2-ylpyrrole-2,3,5-triol
CID 54329700
1-Propylpyrrole-2,3,5-triol
CID 54378751
1-(2-Methylpropyl)pyrrole-2,3,5-triol
CID 54379815
3-methoxy-1H-pyrrole-2,5-diol
CID 54494577

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methylpyrrole-2,5-diol?
The IUPAC name of 3-methoxy-1-methylpyrrole-2,5-diol (CID 91452563) is 3-methoxy-1-methylpyrrole-2,5-diol.
What is the SMILES notation for 3-methoxy-1-methylpyrrole-2,5-diol?
The canonical SMILES for 3-methoxy-1-methylpyrrole-2,5-diol is COc1cc(O)n(C)c1O.
What is the InChIKey of 3-methoxy-1-methylpyrrole-2,5-diol?
The InChIKey is POTMZCASNXKDQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-7-5(8)3-4(10-2)6(7)9/h3,8-9H,1-2H3.
What are the key properties of 3-methoxy-1-methylpyrrole-2,5-diol?
3-methoxy-1-methylpyrrole-2,5-diol has a molecular weight of 143.14 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methylpyrrole-2,5-diol is sourced from PubChem (CID 91452563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).