3-pyrrol-1-ylthiophene-2-carbaldehyde

C9H7NOS — CID 2776536

IUPAC3-pyrrol-1-ylthiophene-2-carbaldehyde
SMILESO=Cc1sccc1-n1cccc1
InChIInChI=1S/C9H7NOS/c11-7-9-8(3-6-12-9)10-4-1-2-5-10/h1-7H
InChIKeyCGPLIVBOMRNPHH-UHFFFAOYSA-N
MW177.23 g/mol
LogP2.35
Rot. Bonds2

About 3-pyrrol-1-ylthiophene-2-carbaldehyde

3-pyrrol-1-ylthiophene-2-carbaldehyde (PubChem CID 2776536) has the molecular formula C9H7NOS and a molecular weight of 177.23 g/mol. Its IUPAC name is 3-pyrrol-1-ylthiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-pyrrol-1-ylthiophene-2-carbaldehyde
PubChem CID2776536
Molecular FormulaC9H7NOS
Molecular Weight177.23 g/mol
Exact Mass177.02
IUPAC Name3-pyrrol-1-ylthiophene-2-carbaldehyde
SMILESO=Cc1sccc1-n1cccc1
InChIInChI=1S/C9H7NOS/c11-7-9-8(3-6-12-9)10-4-1-2-5-10/h1-7H
InChIKeyCGPLIVBOMRNPHH-UHFFFAOYSA-N
XLogP2.35
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 52.35
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 3-pyrrol-1-ylthiophene-2-carbaldehyde?
The IUPAC name of 3-pyrrol-1-ylthiophene-2-carbaldehyde (CID 2776536) is 3-pyrrol-1-ylthiophene-2-carbaldehyde.
What is the SMILES notation for 3-pyrrol-1-ylthiophene-2-carbaldehyde?
The canonical SMILES for 3-pyrrol-1-ylthiophene-2-carbaldehyde is O=Cc1sccc1-n1cccc1.
What is the InChIKey of 3-pyrrol-1-ylthiophene-2-carbaldehyde?
The InChIKey is CGPLIVBOMRNPHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NOS/c11-7-9-8(3-6-12-9)10-4-1-2-5-10/h1-7H.
What are the key properties of 3-pyrrol-1-ylthiophene-2-carbaldehyde?
3-pyrrol-1-ylthiophene-2-carbaldehyde has a molecular weight of 177.23 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-ylthiophene-2-carbaldehyde is sourced from PubChem (CID 2776536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).