2-tert-butyl-1-cyclopentylpyrrole

C13H21N — CID 167365974

IUPAC2-tert-butyl-1-cyclopentylpyrrole
SMILESCC(C)(C)c1cccn1C1CCCC1
InChIInChI=1S/C13H21N/c1-13(2,3)12-9-6-10-14(12)11-7-4-5-8-11/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyAADJINZBVUKRFH-UHFFFAOYSA-N
MW191.32 g/mol
LogP3.90
Rot. Bonds1

About 2-tert-butyl-1-cyclopentylpyrrole

2-tert-butyl-1-cyclopentylpyrrole (PubChem CID 167365974) has the molecular formula C13H21N and a molecular weight of 191.32 g/mol. Its IUPAC name is 2-tert-butyl-1-cyclopentylpyrrole.

Molecular Properties

Compound Name2-tert-butyl-1-cyclopentylpyrrole
PubChem CID167365974
Molecular FormulaC13H21N
Molecular Weight191.32 g/mol
Exact Mass191.17
IUPAC Name2-tert-butyl-1-cyclopentylpyrrole
SMILESCC(C)(C)c1cccn1C1CCCC1
InChIInChI=1S/C13H21N/c1-13(2,3)12-9-6-10-14(12)11-7-4-5-8-11/h6,9-11H,4-5,7-8H2,1-3H3
InChIKeyAADJINZBVUKRFH-UHFFFAOYSA-N
XLogP3.90
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-tert-butyl-1-cyclopentylpyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-[2-(trifluoromethyl)pyrrol-1-yl]piperidin-1-yl]ethanone
CID 126758458
1-cyclopropyl-2-methylpyrrole
CID 22288599
1-cyclohexyl-2-(2-cyclohexylethynyl)pyrrole
CID 175159685
1-cyclohexylpyrrole-2-carboxamide
CID 150262171
3-(chloromethyl)-1-cyclopentylpyridin-2-one
CID 82526593
2-(1-cyclohexylpyrrol-2-yl)acetonitrile
CID 86149026
4-tert-butyl-1-cyclopentyl-2-ethylimidazole
CID 167328090
3-(aminomethyl)-1-cyclopentylpyridin-2-one
CID 82186493
3-(1-cyclohexylpyrrol-2-yl)propan-1-amine
CID 170879046
5-tert-butyl-5,6,7,8-tetrahydroindolizine
CID 160549837
1-cyclopropylpyrrol-2-ol
CID 141224357
methyl 1-cyclobutylpyrrole-2-carboxylate
CID 114609410

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-cyclopentylpyrrole?
The IUPAC name of 2-tert-butyl-1-cyclopentylpyrrole (CID 167365974) is 2-tert-butyl-1-cyclopentylpyrrole.
What is the SMILES notation for 2-tert-butyl-1-cyclopentylpyrrole?
The canonical SMILES for 2-tert-butyl-1-cyclopentylpyrrole is CC(C)(C)c1cccn1C1CCCC1.
What is the InChIKey of 2-tert-butyl-1-cyclopentylpyrrole?
The InChIKey is AADJINZBVUKRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N/c1-13(2,3)12-9-6-10-14(12)11-7-4-5-8-11/h6,9-11H,4-5,7-8H2,1-3H3.
What are the key properties of 2-tert-butyl-1-cyclopentylpyrrole?
2-tert-butyl-1-cyclopentylpyrrole has a molecular weight of 191.32 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-cyclopentylpyrrole is sourced from PubChem (CID 167365974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).