2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole

C13H17NS — CID 60723209

IUPAC2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole
SMILESCc1ccc(C)n1C(C)Cc1cccs1
InChIInChI=1S/C13H17NS/c1-10-6-7-11(2)14(10)12(3)9-13-5-4-8-15-13/h4-8,12H,9H2,1-3H3
InChIKeyWNEIQGZOBUXCKO-UHFFFAOYSA-N
MW219.35 g/mol
LogP3.97
Rot. Bonds3

About 2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole

2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole (PubChem CID 60723209) has the molecular formula C13H17NS and a molecular weight of 219.35 g/mol. Its IUPAC name is 2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole
PubChem CID60723209
Molecular FormulaC13H17NS
Molecular Weight219.35 g/mol
Exact Mass219.11
IUPAC Name2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole
SMILESCc1ccc(C)n1C(C)Cc1cccs1
InChIInChI=1S/C13H17NS/c1-10-6-7-11(2)14(10)12(3)9-13-5-4-8-15-13/h4-8,12H,9H2,1-3H3
InChIKeyWNEIQGZOBUXCKO-UHFFFAOYSA-N
XLogP3.97
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.35
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-5-phenyl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole
CID 63385206
3-chloro-5-propan-2-yl-4-(1-thiophen-2-ylpropan-2-yl)-1,2,4-triazole
CID 63385159
4-(1-thiophen-2-ylpropan-2-yl)morpholine-2,6-dione
CID 63788886
4-tert-butyl-3-(1-thiophen-2-ylpropan-2-yl)-1H-imidazole-2-thione
CID 81335805
7-chloro-3-(1-thiophen-2-ylpropan-2-yl)-1H-benzimidazole-2-thione
CID 104836476
2-(2-chloroethyl)-5-methyl-3-(1-thiophen-2-ylpropan-2-yl)imidazo[4,5-b]pyridine
CID 81139327
4-fluoro-1-(1-thiophen-2-ylpropan-2-yl)benzimidazol-2-amine
CID 63292479
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
2-(2-methylbut-3-ynyl)thiophene
CID 83934797
N-propan-2-yl-1-thiophen-2-ylpropan-2-amine
CID 15162973
2-methyl-1-(1-thiophen-2-ylpropan-2-yl)piperazine
CID 64930534
3,3-diethyl-1-(1-thiophen-2-ylpropan-2-yl)-1,4-diazepane
CID 64949211

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole?
The IUPAC name of 2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole (CID 60723209) is 2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole.
What is the SMILES notation for 2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole?
The canonical SMILES for 2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole is Cc1ccc(C)n1C(C)Cc1cccs1.
What is the InChIKey of 2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole?
The InChIKey is WNEIQGZOBUXCKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NS/c1-10-6-7-11(2)14(10)12(3)9-13-5-4-8-15-13/h4-8,12H,9H2,1-3H3.
What are the key properties of 2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole?
2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole has a molecular weight of 219.35 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1-(1-thiophen-2-ylpropan-2-yl)pyrrole is sourced from PubChem (CID 60723209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).