4-ethyl-3,5-dimethyl-2H-pyrrole

C8H13N — CID 140967570

IUPAC4-ethyl-3,5-dimethyl-2H-pyrrole
SMILESCCC1=C(C)CN=C1C
InChIInChI=1S/C8H13N/c1-4-8-6(2)5-9-7(8)3/h4-5H2,1-3H3
InChIKeyGWVHQJOFYAUFMH-UHFFFAOYSA-N
MW123.20 g/mol
LogP2.19
Rot. Bonds1

About 4-ethyl-3,5-dimethyl-2H-pyrrole

4-ethyl-3,5-dimethyl-2H-pyrrole (PubChem CID 140967570) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 4-ethyl-3,5-dimethyl-2H-pyrrole.

Molecular Properties

Compound Name4-ethyl-3,5-dimethyl-2H-pyrrole
PubChem CID140967570
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name4-ethyl-3,5-dimethyl-2H-pyrrole
SMILESCCC1=C(C)CN=C1C
InChIInChI=1S/C8H13N/c1-4-8-6(2)5-9-7(8)3/h4-5H2,1-3H3
InChIKeyGWVHQJOFYAUFMH-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-ethyl-3,5-dimethyl-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-3,5-dimethyl-2H-pyrrole?
The IUPAC name of 4-ethyl-3,5-dimethyl-2H-pyrrole (CID 140967570) is 4-ethyl-3,5-dimethyl-2H-pyrrole.
What is the SMILES notation for 4-ethyl-3,5-dimethyl-2H-pyrrole?
The canonical SMILES for 4-ethyl-3,5-dimethyl-2H-pyrrole is CCC1=C(C)CN=C1C.
What is the InChIKey of 4-ethyl-3,5-dimethyl-2H-pyrrole?
The InChIKey is GWVHQJOFYAUFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-4-8-6(2)5-9-7(8)3/h4-5H2,1-3H3.
What are the key properties of 4-ethyl-3,5-dimethyl-2H-pyrrole?
4-ethyl-3,5-dimethyl-2H-pyrrole has a molecular weight of 123.20 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3,5-dimethyl-2H-pyrrole is sourced from PubChem (CID 140967570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).