3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole

C10H9NS — CID 67418654

IUPAC3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole
SMILESC(=C/c1ccsc1)\c1cc[nH]c1
InChIInChI=1S/C10H9NS/c1(9-3-5-11-7-9)2-10-4-6-12-8-10/h1-8,11H/b2-1+
InChIKeyXEBLQWNTCSMLHU-OWOJBTEDSA-N
MW175.26 g/mol
LogP3.25
Rot. Bonds2

About 3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole

3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole (PubChem CID 67418654) has the molecular formula C10H9NS and a molecular weight of 175.26 g/mol. Its IUPAC name is 3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole.

Molecular Properties

Compound Name3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole
PubChem CID67418654
Molecular FormulaC10H9NS
Molecular Weight175.26 g/mol
Exact Mass175.05
IUPAC Name3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole
SMILESC(=C/c1ccsc1)\c1cc[nH]c1
InChIInChI=1S/C10H9NS/c1(9-3-5-11-7-9)2-10-4-6-12-8-10/h1-8,11H/b2-1+
InChIKeyXEBLQWNTCSMLHU-OWOJBTEDSA-N
XLogP3.25
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole?
The IUPAC name of 3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole (CID 67418654) is 3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole.
What is the SMILES notation for 3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole?
The canonical SMILES for 3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole is C(=C/c1ccsc1)\c1cc[nH]c1.
What is the InChIKey of 3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole?
The InChIKey is XEBLQWNTCSMLHU-OWOJBTEDSA-N. The full InChI is InChI=1S/C10H9NS/c1(9-3-5-11-7-9)2-10-4-6-12-8-10/h1-8,11H/b2-1+.
What are the key properties of 3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole?
3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole has a molecular weight of 175.26 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-thiophen-3-ylethenyl]-1H-pyrrole is sourced from PubChem (CID 67418654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).