2-(2-methylpropyl)-5-phenyl-1H-pyrrole

C14H17N — CID 70680069

IUPAC2-(2-methylpropyl)-5-phenyl-1H-pyrrole
SMILESCC(C)Cc1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H17N/c1-11(2)10-13-8-9-14(15-13)12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3
InChIKeyILBLCHLOEDMTBN-UHFFFAOYSA-N
MW199.30 g/mol
LogP3.88
Rot. Bonds3

About 2-(2-methylpropyl)-5-phenyl-1H-pyrrole

2-(2-methylpropyl)-5-phenyl-1H-pyrrole (PubChem CID 70680069) has the molecular formula C14H17N and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-phenyl-1H-pyrrole.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-phenyl-1H-pyrrole
PubChem CID70680069
Molecular FormulaC14H17N
Molecular Weight199.30 g/mol
Exact Mass199.14
IUPAC Name2-(2-methylpropyl)-5-phenyl-1H-pyrrole
SMILESCC(C)Cc1ccc(-c2ccccc2)[nH]1
InChIInChI=1S/C14H17N/c1-11(2)10-13-8-9-14(15-13)12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3
InChIKeyILBLCHLOEDMTBN-UHFFFAOYSA-N
XLogP3.88
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze 2-(2-methylpropyl)-5-phenyl-1H-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-(2-methylpropyl)-5-phenyl-1H-pyrrole?
The IUPAC name of 2-(2-methylpropyl)-5-phenyl-1H-pyrrole (CID 70680069) is 2-(2-methylpropyl)-5-phenyl-1H-pyrrole.
What is the SMILES notation for 2-(2-methylpropyl)-5-phenyl-1H-pyrrole?
The canonical SMILES for 2-(2-methylpropyl)-5-phenyl-1H-pyrrole is CC(C)Cc1ccc(-c2ccccc2)[nH]1.
What is the InChIKey of 2-(2-methylpropyl)-5-phenyl-1H-pyrrole?
The InChIKey is ILBLCHLOEDMTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N/c1-11(2)10-13-8-9-14(15-13)12-6-4-3-5-7-12/h3-9,11,15H,10H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5-phenyl-1H-pyrrole?
2-(2-methylpropyl)-5-phenyl-1H-pyrrole has a molecular weight of 199.30 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-phenyl-1H-pyrrole is sourced from PubChem (CID 70680069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).