1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole

C12H15NS — CID 80527625

IUPAC1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole
SMILESCC(C)(Cn1cccc1)c1cccs1
InChIInChI=1S/C12H15NS/c1-12(2,11-6-5-9-14-11)10-13-7-3-4-8-13/h3-9H,10H2,1-2H3
InChIKeyZPJKZLGMRJYJDL-UHFFFAOYSA-N
MW205.33 g/mol
LogP3.53
Rot. Bonds3

About 1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole

1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole (PubChem CID 80527625) has the molecular formula C12H15NS and a molecular weight of 205.33 g/mol. Its IUPAC name is 1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole.

Molecular Properties

Compound Name1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole
PubChem CID80527625
Molecular FormulaC12H15NS
Molecular Weight205.33 g/mol
Exact Mass205.09
IUPAC Name1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole
SMILESCC(C)(Cn1cccc1)c1cccs1
InChIInChI=1S/C12H15NS/c1-12(2,11-6-5-9-14-11)10-13-7-3-4-8-13/h3-9H,10H2,1-2H3
InChIKeyZPJKZLGMRJYJDL-UHFFFAOYSA-N
XLogP3.53
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2,5-dimethyl-5-thiophen-2-ylhexan-2-ol
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2-(2-bromopropan-2-yl)thiophene
CID 174915633
3-methyl-N-(2-methylpropyl)-3-thiophen-2-ylbutan-1-amine
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6-chloro-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine
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2-(1,1-dichloroethyl)thiophene
CID 12555703
2-tert-butylthiophene;methanamine
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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole?
The IUPAC name of 1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole (CID 80527625) is 1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole.
What is the SMILES notation for 1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole?
The canonical SMILES for 1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole is CC(C)(Cn1cccc1)c1cccs1.
What is the InChIKey of 1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole?
The InChIKey is ZPJKZLGMRJYJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NS/c1-12(2,11-6-5-9-14-11)10-13-7-3-4-8-13/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole?
1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole has a molecular weight of 205.33 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-thiophen-2-ylpropyl)pyrrole is sourced from PubChem (CID 80527625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).