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

C11H9NOS — CID 22628797

IUPAC5-(1-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde
SMILESC=C(c1ccc(C=O)[nH]1)c1cccs1
InChIInChI=1S/C11H9NOS/c1-8(11-3-2-6-14-11)10-5-4-9(7-13)12-10/h2-7,12H,1H2
InChIKeyAMAIJEJVAUOGOZ-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.95
Rot. Bonds3

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

5-(1-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde (PubChem CID 22628797) has the molecular formula C11H9NOS and a molecular weight of 203.27 g/mol. Its IUPAC name is 5-(1-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-(1-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde
PubChem CID22628797
Molecular FormulaC11H9NOS
Molecular Weight203.27 g/mol
Exact Mass203.04
IUPAC Name5-(1-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde
SMILESC=C(c1ccc(C=O)[nH]1)c1cccs1
InChIInChI=1S/C11H9NOS/c1-8(11-3-2-6-14-11)10-5-4-9(7-13)12-10/h2-7,12H,1H2
InChIKeyAMAIJEJVAUOGOZ-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
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-(1-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-(1-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde (CID 22628797) is 5-(1-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-(1-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-(1-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde is C=C(c1ccc(C=O)[nH]1)c1cccs1.
What is the InChIKey of 5-(1-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is AMAIJEJVAUOGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NOS/c1-8(11-3-2-6-14-11)10-5-4-9(7-13)12-10/h2-7,12H,1H2.
What are the key properties of 5-(1-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde?
5-(1-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 203.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-thiophen-2-ylethenyl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 22628797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).