1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde

C15H11NOS — CID 102489369

IUPAC1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1ccc(-c2cccs2)cc1
InChIInChI=1S/C15H11NOS/c17-11-14-3-1-9-16(14)13-7-5-12(6-8-13)15-4-2-10-18-15/h1-11H
InChIKeyUPADUAMTJOPMJE-UHFFFAOYSA-N
MW253.33 g/mol
LogP4.02
Rot. Bonds3

About 1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde

1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde (PubChem CID 102489369) has the molecular formula C15H11NOS and a molecular weight of 253.33 g/mol. Its IUPAC name is 1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde
PubChem CID102489369
Molecular FormulaC15H11NOS
Molecular Weight253.33 g/mol
Exact Mass253.06
IUPAC Name1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde
SMILESO=Cc1cccn1-c1ccc(-c2cccs2)cc1
InChIInChI=1S/C15H11NOS/c17-11-14-3-1-9-16(14)13-7-5-12(6-8-13)15-4-2-10-18-15/h1-11H
InChIKeyUPADUAMTJOPMJE-UHFFFAOYSA-N
XLogP4.02
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde?
The IUPAC name of 1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde (CID 102489369) is 1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde.
What is the SMILES notation for 1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde?
The canonical SMILES for 1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde is O=Cc1cccn1-c1ccc(-c2cccs2)cc1.
What is the InChIKey of 1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde?
The InChIKey is UPADUAMTJOPMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NOS/c17-11-14-3-1-9-16(14)13-7-5-12(6-8-13)15-4-2-10-18-15/h1-11H.
What are the key properties of 1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde?
1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde has a molecular weight of 253.33 g/mol, XLogP of 4.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-thiophen-2-ylphenyl)pyrrole-2-carbaldehyde is sourced from PubChem (CID 102489369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).