4-ethyl-2-methyl-1H-pyrrole

C7H11N — CID 521768

IUPAC4-ethyl-2-methyl-1H-pyrrole
SMILESCCc1c[nH]c(C)c1
InChIInChI=1S/C7H11N/c1-3-7-4-6(2)8-5-7/h4-5,8H,3H2,1-2H3
InChIKeyHWXJSNSZAOSLAS-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.89
Rot. Bonds1

About 4-ethyl-2-methyl-1H-pyrrole

4-ethyl-2-methyl-1H-pyrrole (PubChem CID 521768) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 4-ethyl-2-methyl-1H-pyrrole.

Molecular Properties

Compound Name4-ethyl-2-methyl-1H-pyrrole
PubChem CID521768
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name4-ethyl-2-methyl-1H-pyrrole
SMILESCCc1c[nH]c(C)c1
InChIInChI=1S/C7H11N/c1-3-7-4-6(2)8-5-7/h4-5,8H,3H2,1-2H3
InChIKeyHWXJSNSZAOSLAS-UHFFFAOYSA-N
XLogP1.89
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 4-ethyl-2-methyl-1H-pyrrole 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 4-ethyl-2-methyl-1H-pyrrole?
The IUPAC name of 4-ethyl-2-methyl-1H-pyrrole (CID 521768) is 4-ethyl-2-methyl-1H-pyrrole.
What is the SMILES notation for 4-ethyl-2-methyl-1H-pyrrole?
The canonical SMILES for 4-ethyl-2-methyl-1H-pyrrole is CCc1c[nH]c(C)c1.
What is the InChIKey of 4-ethyl-2-methyl-1H-pyrrole?
The InChIKey is HWXJSNSZAOSLAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-7-4-6(2)8-5-7/h4-5,8H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-1H-pyrrole?
4-ethyl-2-methyl-1H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-1H-pyrrole is sourced from PubChem (CID 521768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).