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

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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).