6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid

C9H10O3S — CID 83908158

IUPAC6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid
SMILESCc1cc2c(s1)C(O)(C(=O)O)CC2
InChIInChI=1S/C9H10O3S/c1-5-4-6-2-3-9(12,8(10)11)7(6)13-5/h4,12H,2-3H2,1H3,(H,10,11)
InChIKeyRKYZNYDGDXOXNS-UHFFFAOYSA-N
MW198.24 g/mol
LogP1.27
Rot. Bonds1

About 6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid

6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid (PubChem CID 83908158) has the molecular formula C9H10O3S and a molecular weight of 198.24 g/mol. Its IUPAC name is 6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid
PubChem CID83908158
Molecular FormulaC9H10O3S
Molecular Weight198.24 g/mol
Exact Mass198.04
IUPAC Name6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid
SMILESCc1cc2c(s1)C(O)(C(=O)O)CC2
InChIInChI=1S/C9H10O3S/c1-5-4-6-2-3-9(12,8(10)11)7(6)13-5/h4,12H,2-3H2,1H3,(H,10,11)
InChIKeyRKYZNYDGDXOXNS-UHFFFAOYSA-N
XLogP1.27
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid?
The IUPAC name of 6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid (CID 83908158) is 6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid.
What is the SMILES notation for 6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid?
The canonical SMILES for 6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid is Cc1cc2c(s1)C(O)(C(=O)O)CC2.
What is the InChIKey of 6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid?
The InChIKey is RKYZNYDGDXOXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3S/c1-5-4-6-2-3-9(12,8(10)11)7(6)13-5/h4,12H,2-3H2,1H3,(H,10,11).
What are the key properties of 6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid?
6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid has a molecular weight of 198.24 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-methyl-4,5-dihydrocyclopenta[b]thiophene-6-carboxylic acid is sourced from PubChem (CID 83908158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).