2,5-dimethoxy-1-methylpyrrole

C7H11NO2 — CID 69461288

IUPAC2,5-dimethoxy-1-methylpyrrole
SMILESCOc1ccc(OC)n1C
InChIInChI=1S/C7H11NO2/c1-8-6(9-2)4-5-7(8)10-3/h4-5H,1-3H3
InChIKeyXNWLXXFCPUHKKU-UHFFFAOYSA-N
MW141.17 g/mol
LogP1.04
Rot. Bonds2

About 2,5-dimethoxy-1-methylpyrrole

2,5-dimethoxy-1-methylpyrrole (PubChem CID 69461288) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is 2,5-dimethoxy-1-methylpyrrole.

Molecular Properties

Compound Name2,5-dimethoxy-1-methylpyrrole
PubChem CID69461288
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name2,5-dimethoxy-1-methylpyrrole
SMILESCOc1ccc(OC)n1C
InChIInChI=1S/C7H11NO2/c1-8-6(9-2)4-5-7(8)10-3/h4-5H,1-3H3
InChIKeyXNWLXXFCPUHKKU-UHFFFAOYSA-N
XLogP1.04
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,5-dimethoxy-1-methylpyrrole 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 2,5-dimethoxy-1-methylpyrrole?
The IUPAC name of 2,5-dimethoxy-1-methylpyrrole (CID 69461288) is 2,5-dimethoxy-1-methylpyrrole.
What is the SMILES notation for 2,5-dimethoxy-1-methylpyrrole?
The canonical SMILES for 2,5-dimethoxy-1-methylpyrrole is COc1ccc(OC)n1C.
What is the InChIKey of 2,5-dimethoxy-1-methylpyrrole?
The InChIKey is XNWLXXFCPUHKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8-6(9-2)4-5-7(8)10-3/h4-5H,1-3H3.
What are the key properties of 2,5-dimethoxy-1-methylpyrrole?
2,5-dimethoxy-1-methylpyrrole has a molecular weight of 141.17 g/mol, XLogP of 1.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-1-methylpyrrole is sourced from PubChem (CID 69461288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).