2-methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde

C8H7NOS — CID 86211439

IUPAC2-methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde
SMILESCc1cc2[nH]c(C=O)cc2s1
InChIInChI=1S/C8H7NOS/c1-5-2-7-8(11-5)3-6(4-10)9-7/h2-4,9H,1H3
InChIKeyZIYXUXIUCPUFCB-UHFFFAOYSA-N
MW165.22 g/mol
LogP2.35
Rot. Bonds1

About 2-methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde

2-methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde (PubChem CID 86211439) has the molecular formula C8H7NOS and a molecular weight of 165.22 g/mol. Its IUPAC name is 2-methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde.

Molecular Properties

Compound Name2-methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde
PubChem CID86211439
Molecular FormulaC8H7NOS
Molecular Weight165.22 g/mol
Exact Mass165.02
IUPAC Name2-methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde
SMILESCc1cc2[nH]c(C=O)cc2s1
InChIInChI=1S/C8H7NOS/c1-5-2-7-8(11-5)3-6(4-10)9-7/h2-4,9H,1H3
InChIKeyZIYXUXIUCPUFCB-UHFFFAOYSA-N
XLogP2.35
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.22
LogP ≤ 52.35
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 2-methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde?
The IUPAC name of 2-methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde (CID 86211439) is 2-methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde.
What is the SMILES notation for 2-methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde?
The canonical SMILES for 2-methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde is Cc1cc2[nH]c(C=O)cc2s1.
What is the InChIKey of 2-methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde?
The InChIKey is ZIYXUXIUCPUFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NOS/c1-5-2-7-8(11-5)3-6(4-10)9-7/h2-4,9H,1H3.
What are the key properties of 2-methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde?
2-methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde has a molecular weight of 165.22 g/mol, XLogP of 2.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-thieno[3,2-b]pyrrole-5-carbaldehyde is sourced from PubChem (CID 86211439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).