5-(2-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde

C11H9NOS — CID 54429821

IUPAC5-(2-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(C=Cc2cccs2)[nH]1
InChIInChI=1S/C11H9NOS/c13-8-10-4-3-9(12-10)5-6-11-2-1-7-14-11/h1-8,12H
InChIKeyWGRIHYGPZJEFNE-UHFFFAOYSA-N
MW203.27 g/mol
LogP3.06
Rot. Bonds3

About 5-(2-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde

5-(2-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde (PubChem CID 54429821) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 5-(2-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-(2-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde
PubChem CID54429821
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name5-(2-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde
SMILESO=Cc1ccc(C=Cc2cccs2)[nH]1
InChIInChI=1S/C11H9NOS/c13-8-10-4-3-9(12-10)5-6-11-2-1-7-14-11/h1-8,12H
InChIKeyWGRIHYGPZJEFNE-UHFFFAOYSA-N
XLogP3.06
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-(2-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde (CID 54429821) is 5-(2-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-(2-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-(2-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde is O=Cc1ccc(C=Cc2cccs2)[nH]1.
What is the InChIKey of 5-(2-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is WGRIHYGPZJEFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c13-8-10-4-3-9(12-10)5-6-11-2-1-7-14-11/h1-8,12H.
What are the key properties of 5-(2-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde?
5-(2-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 203.27 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 54429821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).