1-ethyl-2-methylpyrrole

C7H11N — CID 6429278

IUPAC1-ethyl-2-methylpyrrole
SMILESCCn1cccc1C
InChIInChI=1S/C7H11N/c1-3-8-6-4-5-7(8)2/h4-6H,3H2,1-2H3
InChIKeyWBSWPBIIIRQMFK-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.82
Rot. Bonds1

About 1-ethyl-2-methylpyrrole

1-ethyl-2-methylpyrrole (PubChem CID 6429278) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 1-ethyl-2-methylpyrrole.

Molecular Properties

Compound Name1-ethyl-2-methylpyrrole
PubChem CID6429278
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name1-ethyl-2-methylpyrrole
SMILESCCn1cccc1C
InChIInChI=1S/C7H11N/c1-3-8-6-4-5-7(8)2/h4-6H,3H2,1-2H3
InChIKeyWBSWPBIIIRQMFK-UHFFFAOYSA-N
XLogP1.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-ethyl-2-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 1-ethyl-2-methylpyrrole?
The IUPAC name of 1-ethyl-2-methylpyrrole (CID 6429278) is 1-ethyl-2-methylpyrrole.
What is the SMILES notation for 1-ethyl-2-methylpyrrole?
The canonical SMILES for 1-ethyl-2-methylpyrrole is CCn1cccc1C.
What is the InChIKey of 1-ethyl-2-methylpyrrole?
The InChIKey is WBSWPBIIIRQMFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-8-6-4-5-7(8)2/h4-6H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methylpyrrole?
1-ethyl-2-methylpyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylpyrrole is sourced from PubChem (CID 6429278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).