2-methoxy-1-methylpyrrole

C6H9NO — CID 14786532

IUPAC2-methoxy-1-methylpyrrole
SMILESCOc1cccn1C
InChIInChI=1S/C6H9NO/c1-7-5-3-4-6(7)8-2/h3-5H,1-2H3
InChIKeyAKBDNEFWDAEIJD-UHFFFAOYSA-N
MW111.14 g/mol
LogP1.03
Rot. Bonds1

About 2-methoxy-1-methylpyrrole

2-methoxy-1-methylpyrrole (PubChem CID 14786532) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is 2-methoxy-1-methylpyrrole.

Molecular Properties

Compound Name2-methoxy-1-methylpyrrole
PubChem CID14786532
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name2-methoxy-1-methylpyrrole
SMILESCOc1cccn1C
InChIInChI=1S/C6H9NO/c1-7-5-3-4-6(7)8-2/h3-5H,1-2H3
InChIKeyAKBDNEFWDAEIJD-UHFFFAOYSA-N
XLogP1.03
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-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-methoxy-1-methylpyrrole?
The IUPAC name of 2-methoxy-1-methylpyrrole (CID 14786532) is 2-methoxy-1-methylpyrrole.
What is the SMILES notation for 2-methoxy-1-methylpyrrole?
The canonical SMILES for 2-methoxy-1-methylpyrrole is COc1cccn1C.
What is the InChIKey of 2-methoxy-1-methylpyrrole?
The InChIKey is AKBDNEFWDAEIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO/c1-7-5-3-4-6(7)8-2/h3-5H,1-2H3.
What are the key properties of 2-methoxy-1-methylpyrrole?
2-methoxy-1-methylpyrrole has a molecular weight of 111.14 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-methylpyrrole is sourced from PubChem (CID 14786532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).