5-ethyl-3H-pyrrole

C6H9N — CID 18717561

IUPAC5-ethyl-3H-pyrrole
SMILESCCC1=CCC=N1
InChIInChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h4-5H,2-3H2,1H3
InChIKeyMRFCDSRMZKYQCC-UHFFFAOYSA-N
MW95.14 g/mol
LogP1.75
Rot. Bonds1

About 5-ethyl-3H-pyrrole

5-ethyl-3H-pyrrole (PubChem CID 18717561) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is 5-ethyl-3H-pyrrole.

Molecular Properties

Compound Name5-ethyl-3H-pyrrole
PubChem CID18717561
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Name5-ethyl-3H-pyrrole
SMILESCCC1=CCC=N1
InChIInChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h4-5H,2-3H2,1H3
InChIKeyMRFCDSRMZKYQCC-UHFFFAOYSA-N
XLogP1.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-ethyl-3H-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 5-ethyl-3H-pyrrole?
The IUPAC name of 5-ethyl-3H-pyrrole (CID 18717561) is 5-ethyl-3H-pyrrole.
What is the SMILES notation for 5-ethyl-3H-pyrrole?
The canonical SMILES for 5-ethyl-3H-pyrrole is CCC1=CCC=N1.
What is the InChIKey of 5-ethyl-3H-pyrrole?
The InChIKey is MRFCDSRMZKYQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c1-2-6-4-3-5-7-6/h4-5H,2-3H2,1H3.
What are the key properties of 5-ethyl-3H-pyrrole?
5-ethyl-3H-pyrrole has a molecular weight of 95.14 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3H-pyrrole is sourced from PubChem (CID 18717561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).