3,4,5-triethylcyclopenta[b]pyrrole

C13H17N — CID 21095831

IUPAC3,4,5-triethylcyclopenta[b]pyrrole
SMILESCCC1=C(CC)C2=C(CC)C=NC2=C1
InChIInChI=1S/C13H17N/c1-4-9-7-12-13(11(9)6-3)10(5-2)8-14-12/h7-8H,4-6H2,1-3H3
InChIKeyBLFYEOFSQJMJHJ-UHFFFAOYSA-N
MW187.29 g/mol
LogP3.79
Rot. Bonds3

About 3,4,5-triethylcyclopenta[b]pyrrole

3,4,5-triethylcyclopenta[b]pyrrole (PubChem CID 21095831) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 3,4,5-triethylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name3,4,5-triethylcyclopenta[b]pyrrole
PubChem CID21095831
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name3,4,5-triethylcyclopenta[b]pyrrole
SMILESCCC1=C(CC)C2=C(CC)C=NC2=C1
InChIInChI=1S/C13H17N/c1-4-9-7-12-13(11(9)6-3)10(5-2)8-14-12/h7-8H,4-6H2,1-3H3
InChIKeyBLFYEOFSQJMJHJ-UHFFFAOYSA-N
XLogP3.79
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3,4,5-triethylcyclopenta[b]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 3,4,5-triethylcyclopenta[b]pyrrole?
The IUPAC name of 3,4,5-triethylcyclopenta[b]pyrrole (CID 21095831) is 3,4,5-triethylcyclopenta[b]pyrrole.
What is the SMILES notation for 3,4,5-triethylcyclopenta[b]pyrrole?
The canonical SMILES for 3,4,5-triethylcyclopenta[b]pyrrole is CCC1=C(CC)C2=C(CC)C=NC2=C1.
What is the InChIKey of 3,4,5-triethylcyclopenta[b]pyrrole?
The InChIKey is BLFYEOFSQJMJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-4-9-7-12-13(11(9)6-3)10(5-2)8-14-12/h7-8H,4-6H2,1-3H3.
What are the key properties of 3,4,5-triethylcyclopenta[b]pyrrole?
3,4,5-triethylcyclopenta[b]pyrrole has a molecular weight of 187.29 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethylcyclopenta[b]pyrrole is sourced from PubChem (CID 21095831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).