6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid

C10H9NO3S — CID 18525174

IUPAC6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1cc2c(s1)c(C=O)c(C(=O)O)n2C
InChIInChI=1S/C10H9NO3S/c1-5-3-7-9(15-5)6(4-12)8(10(13)14)11(7)2/h3-4H,1-2H3,(H,13,14)
InChIKeyUGFVUPMCZFWRGG-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.06
Rot. Bonds2

About 6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid

6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 18525174) has the molecular formula C10H9NO3S and a molecular weight of 223.25 g/mol. Its IUPAC name is 6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid
PubChem CID18525174
Molecular FormulaC10H9NO3S
Molecular Weight223.25 g/mol
Exact Mass223.03
IUPAC Name6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1cc2c(s1)c(C=O)c(C(=O)O)n2C
InChIInChI=1S/C10H9NO3S/c1-5-3-7-9(15-5)6(4-12)8(10(13)14)11(7)2/h3-4H,1-2H3,(H,13,14)
InChIKeyUGFVUPMCZFWRGG-UHFFFAOYSA-N
XLogP2.06
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid (CID 18525174) is 6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid is Cc1cc2c(s1)c(C=O)c(C(=O)O)n2C.
What is the InChIKey of 6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is UGFVUPMCZFWRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S/c1-5-3-7-9(15-5)6(4-12)8(10(13)14)11(7)2/h3-4H,1-2H3,(H,13,14).
What are the key properties of 6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid?
6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 223.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-formyl-2,4-dimethylthieno[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 18525174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).