3-benzyl-6H-thieno[2,3-b]pyrrole-5-carbaldehyde

C14H11NOS — CID 143604981

IUPAC3-benzyl-6H-thieno[2,3-b]pyrrole-5-carbaldehyde
SMILESO=Cc1cc2c(Cc3ccccc3)csc2[nH]1
InChIInChI=1S/C14H11NOS/c16-8-12-7-13-11(9-17-14(13)15-12)6-10-4-2-1-3-5-10/h1-5,7-9,15H,6H2
InChIKeyIHQMPTJORXNTGR-UHFFFAOYSA-N
MW241.32 g/mol
LogP3.63
Rot. Bonds3

About 3-benzyl-6H-thieno[2,3-b]pyrrole-5-carbaldehyde

3-benzyl-6H-thieno[2,3-b]pyrrole-5-carbaldehyde (PubChem CID 143604981) has the molecular formula C14H11NOS and a molecular weight of 241.32 g/mol. Its IUPAC name is 3-benzyl-6H-thieno[2,3-b]pyrrole-5-carbaldehyde.

Molecular Properties

Compound Name3-benzyl-6H-thieno[2,3-b]pyrrole-5-carbaldehyde
PubChem CID143604981
Molecular FormulaC14H11NOS
Molecular Weight241.32 g/mol
Exact Mass241.06
IUPAC Name3-benzyl-6H-thieno[2,3-b]pyrrole-5-carbaldehyde
SMILESO=Cc1cc2c(Cc3ccccc3)csc2[nH]1
InChIInChI=1S/C14H11NOS/c16-8-12-7-13-11(9-17-14(13)15-12)6-10-4-2-1-3-5-10/h1-5,7-9,15H,6H2
InChIKeyIHQMPTJORXNTGR-UHFFFAOYSA-N
XLogP3.63
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 53.63
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 3-benzyl-6H-thieno[2,3-b]pyrrole-5-carbaldehyde?
The IUPAC name of 3-benzyl-6H-thieno[2,3-b]pyrrole-5-carbaldehyde (CID 143604981) is 3-benzyl-6H-thieno[2,3-b]pyrrole-5-carbaldehyde.
What is the SMILES notation for 3-benzyl-6H-thieno[2,3-b]pyrrole-5-carbaldehyde?
The canonical SMILES for 3-benzyl-6H-thieno[2,3-b]pyrrole-5-carbaldehyde is O=Cc1cc2c(Cc3ccccc3)csc2[nH]1.
What is the InChIKey of 3-benzyl-6H-thieno[2,3-b]pyrrole-5-carbaldehyde?
The InChIKey is IHQMPTJORXNTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NOS/c16-8-12-7-13-11(9-17-14(13)15-12)6-10-4-2-1-3-5-10/h1-5,7-9,15H,6H2.
What are the key properties of 3-benzyl-6H-thieno[2,3-b]pyrrole-5-carbaldehyde?
3-benzyl-6H-thieno[2,3-b]pyrrole-5-carbaldehyde has a molecular weight of 241.32 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6H-thieno[2,3-b]pyrrole-5-carbaldehyde is sourced from PubChem (CID 143604981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).