1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole

C16H18FN — CID 82085166

IUPAC1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole
SMILESCc1ccc(-c2ccc(F)cc2)n1C1CCCC1
InChIInChI=1S/C16H18FN/c1-12-6-11-16(13-7-9-14(17)10-8-13)18(12)15-4-2-3-5-15/h6-11,15H,2-5H2,1H3
InChIKeyKRWAZPCECGKVNE-UHFFFAOYSA-N
MW243.33 g/mol
LogP4.72
Rot. Bonds2

About 1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole

1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole (PubChem CID 82085166) has the molecular formula C16H18FN and a molecular weight of 243.33 g/mol. Its IUPAC name is 1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole.

Molecular Properties

Compound Name1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole
PubChem CID82085166
Molecular FormulaC16H18FN
Molecular Weight243.33 g/mol
Exact Mass243.14
IUPAC Name1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole
SMILESCc1ccc(-c2ccc(F)cc2)n1C1CCCC1
InChIInChI=1S/C16H18FN/c1-12-6-11-16(13-7-9-14(17)10-8-13)18(12)15-4-2-3-5-15/h6-11,15H,2-5H2,1H3
InChIKeyKRWAZPCECGKVNE-UHFFFAOYSA-N
XLogP4.72
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

Analyze 1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole 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 1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole?
The IUPAC name of 1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole (CID 82085166) is 1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole.
What is the SMILES notation for 1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole?
The canonical SMILES for 1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole is Cc1ccc(-c2ccc(F)cc2)n1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole?
The InChIKey is KRWAZPCECGKVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN/c1-12-6-11-16(13-7-9-14(17)10-8-13)18(12)15-4-2-3-5-15/h6-11,15H,2-5H2,1H3.
What are the key properties of 1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole?
1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole has a molecular weight of 243.33 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(4-fluorophenyl)-5-methylpyrrole is sourced from PubChem (CID 82085166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).