2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

C9H10O3S — CID 155388911

IUPAC2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
SMILESCOc1sc2c(c1C(=O)O)CCC2
InChIInChI=1S/C9H10O3S/c1-12-9-7(8(10)11)5-3-2-4-6(5)13-9/h2-4H2,1H3,(H,10,11)
InChIKeyHQMJKYAZEROANN-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.94
Rot. Bonds2

About 2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid

2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid (PubChem CID 155388911) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is 2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
PubChem CID155388911
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
SMILESCOc1sc2c(c1C(=O)O)CCC2
InChIInChI=1S/C9H10O3S/c1-12-9-7(8(10)11)5-3-2-4-6(5)13-9/h2-4H2,1H3,(H,10,11)
InChIKeyHQMJKYAZEROANN-UHFFFAOYSA-N
XLogP1.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-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

Related Compounds

2-amino-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 5151249
2-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 20676172
2-(acetylcarbamothioylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 21148233
2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 155388917
2-[(4-methoxybenzoyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 760014
2-bromo-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid
CID 82374906
1-(2-amino-5,6-dihydro-4H-cyclopenta[b]thiophen-3-yl)ethanone
CID 65354676
2-[(2-methoxy-2-methylpropanoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid
CID 103018181
2-[[6-[(3-methoxycarbonyl-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-6-oxohexanoyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 4215488
methyl 2-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 59887387
2-(3,5-dioxo-1,2,4-triazolidin-4-yl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid
CID 107409425
methyl 2-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 155389572

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
The IUPAC name of 2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid (CID 155388911) is 2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
The canonical SMILES for 2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid is COc1sc2c(c1C(=O)O)CCC2.
What is the InChIKey of 2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
The InChIKey is HQMJKYAZEROANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S/c1-12-9-7(8(10)11)5-3-2-4-6(5)13-9/h2-4H2,1H3,(H,10,11).
What are the key properties of 2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid?
2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid has a molecular weight of 198.24 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid is sourced from PubChem (CID 155388911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).