2,5-diethyl-3-phenylcyclopenta[b]pyrrole

C17H17N — CID 67032374

IUPAC2,5-diethyl-3-phenylcyclopenta[b]pyrrole
SMILESCCC1=CC2=C(c3ccccc3)C(CC)=NC2=C1
InChIInChI=1S/C17H17N/c1-3-12-10-14-16(11-12)18-15(4-2)17(14)13-8-6-5-7-9-13/h5-11H,3-4H2,1-2H3
InChIKeyMRBJJOJFCCUDEH-UHFFFAOYSA-N
MW235.33 g/mol
LogP4.54
Rot. Bonds3

About 2,5-diethyl-3-phenylcyclopenta[b]pyrrole

2,5-diethyl-3-phenylcyclopenta[b]pyrrole (PubChem CID 67032374) has the molecular formula C17H17N and a molecular weight of 235.33 g/mol. Its IUPAC name is 2,5-diethyl-3-phenylcyclopenta[b]pyrrole.

Molecular Properties

Compound Name2,5-diethyl-3-phenylcyclopenta[b]pyrrole
PubChem CID67032374
Molecular FormulaC17H17N
Molecular Weight235.33 g/mol
Exact Mass235.14
IUPAC Name2,5-diethyl-3-phenylcyclopenta[b]pyrrole
SMILESCCC1=CC2=C(c3ccccc3)C(CC)=NC2=C1
InChIInChI=1S/C17H17N/c1-3-12-10-14-16(11-12)18-15(4-2)17(14)13-8-6-5-7-9-13/h5-11H,3-4H2,1-2H3
InChIKeyMRBJJOJFCCUDEH-UHFFFAOYSA-N
XLogP4.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,5-diethyl-3-phenylcyclopenta[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 2,5-diethyl-3-phenylcyclopenta[b]pyrrole?
The IUPAC name of 2,5-diethyl-3-phenylcyclopenta[b]pyrrole (CID 67032374) is 2,5-diethyl-3-phenylcyclopenta[b]pyrrole.
What is the SMILES notation for 2,5-diethyl-3-phenylcyclopenta[b]pyrrole?
The canonical SMILES for 2,5-diethyl-3-phenylcyclopenta[b]pyrrole is CCC1=CC2=C(c3ccccc3)C(CC)=NC2=C1.
What is the InChIKey of 2,5-diethyl-3-phenylcyclopenta[b]pyrrole?
The InChIKey is MRBJJOJFCCUDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N/c1-3-12-10-14-16(11-12)18-15(4-2)17(14)13-8-6-5-7-9-13/h5-11H,3-4H2,1-2H3.
What are the key properties of 2,5-diethyl-3-phenylcyclopenta[b]pyrrole?
2,5-diethyl-3-phenylcyclopenta[b]pyrrole has a molecular weight of 235.33 g/mol, XLogP of 4.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diethyl-3-phenylcyclopenta[b]pyrrole is sourced from PubChem (CID 67032374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).