1-ethenyl-2-thiophen-2-ylpyrrole

C10H9NS — CID 3302730

IUPAC1-ethenyl-2-thiophen-2-ylpyrrole
SMILESC=Cn1cccc1-c1cccs1
InChIInChI=1S/C10H9NS/c1-2-11-7-3-5-9(11)10-6-4-8-12-10/h2-8H,1H2
InChIKeyLYDFTEMGGYWUBK-UHFFFAOYSA-N
MW175.26 g/mol
LogP3.32
Rot. Bonds2

About 1-ethenyl-2-thiophen-2-ylpyrrole

1-ethenyl-2-thiophen-2-ylpyrrole (PubChem CID 3302730) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 1-ethenyl-2-thiophen-2-ylpyrrole.

Molecular Properties

Compound Name1-ethenyl-2-thiophen-2-ylpyrrole
PubChem CID3302730
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name1-ethenyl-2-thiophen-2-ylpyrrole
SMILESC=Cn1cccc1-c1cccs1
InChIInChI=1S/C10H9NS/c1-2-11-7-3-5-9(11)10-6-4-8-12-10/h2-8H,1H2
InChIKeyLYDFTEMGGYWUBK-UHFFFAOYSA-N
XLogP3.32
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-thiophen-2-ylpyrrole?
The IUPAC name of 1-ethenyl-2-thiophen-2-ylpyrrole (CID 3302730) is 1-ethenyl-2-thiophen-2-ylpyrrole.
What is the SMILES notation for 1-ethenyl-2-thiophen-2-ylpyrrole?
The canonical SMILES for 1-ethenyl-2-thiophen-2-ylpyrrole is C=Cn1cccc1-c1cccs1.
What is the InChIKey of 1-ethenyl-2-thiophen-2-ylpyrrole?
The InChIKey is LYDFTEMGGYWUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NS/c1-2-11-7-3-5-9(11)10-6-4-8-12-10/h2-8H,1H2.
What are the key properties of 1-ethenyl-2-thiophen-2-ylpyrrole?
1-ethenyl-2-thiophen-2-ylpyrrole has a molecular weight of 175.26 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-thiophen-2-ylpyrrole is sourced from PubChem (CID 3302730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).