3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carboxylic acid

C7H7NO2S — CID 112545280

IUPAC3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carboxylic acid
SMILESO=C(O)c1[nH]cc2c1CCS2
InChIInChI=1S/C7H7NO2S/c9-7(10)6-4-1-2-11-5(4)3-8-6/h3,8H,1-2H2,(H,9,10)
InChIKeyPBMXCQZTGVLSTF-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.36
Rot. Bonds1

About 3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carboxylic acid

3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carboxylic acid (PubChem CID 112545280) has the molecular formula C7H7NO2S and a molecular weight of 169.20 g/mol. Its IUPAC name is 3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carboxylic acid.

Molecular Properties

Compound Name3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carboxylic acid
PubChem CID112545280
Molecular FormulaC7H7NO2S
Molecular Weight169.20 g/mol
Exact Mass169.02
IUPAC Name3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carboxylic acid
SMILESO=C(O)c1[nH]cc2c1CCS2
InChIInChI=1S/C7H7NO2S/c9-7(10)6-4-1-2-11-5(4)3-8-6/h3,8H,1-2H2,(H,9,10)
InChIKeyPBMXCQZTGVLSTF-UHFFFAOYSA-N
XLogP1.36
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carboxylic acid?
The IUPAC name of 3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carboxylic acid (CID 112545280) is 3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carboxylic acid.
What is the SMILES notation for 3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carboxylic acid?
The canonical SMILES for 3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carboxylic acid is O=C(O)c1[nH]cc2c1CCS2.
What is the InChIKey of 3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carboxylic acid?
The InChIKey is PBMXCQZTGVLSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2S/c9-7(10)6-4-1-2-11-5(4)3-8-6/h3,8H,1-2H2,(H,9,10).
What are the key properties of 3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carboxylic acid?
3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carboxylic acid has a molecular weight of 169.20 g/mol, XLogP of 1.36, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydro-2H-thieno[2,3-c]pyrrole-4-carboxylic acid is sourced from PubChem (CID 112545280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).