5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid

C10H12O2S — CID 3161245

IUPAC5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C10H12O2S/c11-10(12)9-6-7-4-2-1-3-5-8(7)13-9/h6H,1-5H2,(H,11,12)
InChIKeyFUUKNDGHOIUHLN-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.72
Rot. Bonds1

About 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid

5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid (PubChem CID 3161245) has the molecular formula C10H12O2S and a molecular weight of 196.27 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid
PubChem CID3161245
Molecular FormulaC10H12O2S
Molecular Weight196.27 g/mol
Exact Mass196.06
IUPAC Name5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CCCCC2
InChIInChI=1S/C10H12O2S/c11-10(12)9-6-7-4-2-1-3-5-8(7)13-9/h6H,1-5H2,(H,11,12)
InChIKeyFUUKNDGHOIUHLN-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid?
The IUPAC name of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid (CID 3161245) is 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid is O=C(O)c1cc2c(s1)CCCCC2.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid?
The InChIKey is FUUKNDGHOIUHLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2S/c11-10(12)9-6-7-4-2-1-3-5-8(7)13-9/h6H,1-5H2,(H,11,12).
What are the key properties of 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid?
5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid has a molecular weight of 196.27 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxylic acid is sourced from PubChem (CID 3161245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).