5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid

C8H8O2S — CID 770980

IUPAC5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CCC2
InChIInChI=1S/C8H8O2S/c9-8(10)7-4-5-2-1-3-6(5)11-7/h4H,1-3H2,(H,9,10)
InChIKeyXSFUFVBXPLWNBK-UHFFFAOYSA-N
MW168.22 g/mol
LogP1.93
Rot. Bonds1

About 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid

5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid (PubChem CID 770980) has the molecular formula C8H8O2S and a molecular weight of 168.22 g/mol. Its IUPAC name is 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid
PubChem CID770980
Molecular FormulaC8H8O2S
Molecular Weight168.22 g/mol
Exact Mass168.02
IUPAC Name5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid
SMILESO=C(O)c1cc2c(s1)CCC2
InChIInChI=1S/C8H8O2S/c9-8(10)7-4-5-2-1-3-6(5)11-7/h4H,1-3H2,(H,9,10)
InChIKeyXSFUFVBXPLWNBK-UHFFFAOYSA-N
XLogP1.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,5-Dimethylthiophene-2-carboxylic acid
CID 2769634
4-(Thiophen-2-yl)benzoic acid
CID 736498
4-(3-Thienyl)benzoic acid
CID 736862
5-Phenyl-2-Thiophenecarboxylic Acid
CID 736494
5-Ethyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxylic acid
CID 2998934
4,5,6,7-Tetrahydro-1-benzothiophene-2-carboxylic acid
CID 2063443
5-Ethylthiophene-2-carboxylic acid
CID 588192
5-Tert-butylthiophene-2-carboxylic acid
CID 458349
4H,5H,6H,7H,8H-cyclohepta[b]thiophene-2-carboxylic acid
CID 3161245
3-(Thien-2-yl)benzoic acid
CID 736861
5-(4-Fluorophenyl)thiophene-2-carboxylic acid
CID 1873401
4-Ethyl-5-propylthiophene-2-carboxylic acid
CID 2113906

Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid?
The IUPAC name of 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid (CID 770980) is 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid.
What is the SMILES notation for 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid?
The canonical SMILES for 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid is O=C(O)c1cc2c(s1)CCC2.
What is the InChIKey of 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid?
The InChIKey is XSFUFVBXPLWNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2S/c9-8(10)7-4-5-2-1-3-6(5)11-7/h4H,1-3H2,(H,9,10).
What are the key properties of 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid?
5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid has a molecular weight of 168.22 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxylic acid is sourced from PubChem (CID 770980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).