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

C7H11N — CID 89088241

IUPAC4-ethyl-2-methyl-2H-pyrrole
SMILESCCC1=CC(C)N=C1
InChIInChI=1S/C7H11N/c1-3-7-4-6(2)8-5-7/h4-6H,3H2,1-2H3
InChIKeyANCKFJMGEFAJAO-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.80
Rot. Bonds1

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

4-ethyl-2-methyl-2H-pyrrole (PubChem CID 89088241) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is 4-ethyl-2-methyl-2H-pyrrole.

Molecular Properties

Compound Name4-ethyl-2-methyl-2H-pyrrole
PubChem CID89088241
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC Name4-ethyl-2-methyl-2H-pyrrole
SMILESCCC1=CC(C)N=C1
InChIInChI=1S/C7H11N/c1-3-7-4-6(2)8-5-7/h4-6H,3H2,1-2H3
InChIKeyANCKFJMGEFAJAO-UHFFFAOYSA-N
XLogP1.80
TPSA12.36 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 ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-2-methyl-2H-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-2H-pyrrole?
The IUPAC name of 4-ethyl-2-methyl-2H-pyrrole (CID 89088241) is 4-ethyl-2-methyl-2H-pyrrole.
What is the SMILES notation for 4-ethyl-2-methyl-2H-pyrrole?
The canonical SMILES for 4-ethyl-2-methyl-2H-pyrrole is CCC1=CC(C)N=C1.
What is the InChIKey of 4-ethyl-2-methyl-2H-pyrrole?
The InChIKey is ANCKFJMGEFAJAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-3-7-4-6(2)8-5-7/h4-6H,3H2,1-2H3.
What are the key properties of 4-ethyl-2-methyl-2H-pyrrole?
4-ethyl-2-methyl-2H-pyrrole has a molecular weight of 109.17 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-methyl-2H-pyrrole is sourced from PubChem (CID 89088241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).