4-cyclopropyl-2,3-dihydrothiophene-2-carboxylic acid

C8H10O2S — CID 89020811

IUPAC4-cyclopropyl-2,3-dihydrothiophene-2-carboxylic acid
SMILESO=C(O)C1CC(C2CC2)=CS1
InChIInChI=1S/C8H10O2S/c9-8(10)7-3-6(4-11-7)5-1-2-5/h4-5,7H,1-3H2,(H,9,10)
InChIKeyILEZJZSIHHLCHT-UHFFFAOYSA-N
MW170.23 g/mol
LogP1.87
Rot. Bonds2

About 4-cyclopropyl-2,3-dihydrothiophene-2-carboxylic acid

4-cyclopropyl-2,3-dihydrothiophene-2-carboxylic acid (PubChem CID 89020811) has the molecular formula C8H10O2S and a molecular weight of 170.23 g/mol. Its IUPAC name is 4-cyclopropyl-2,3-dihydrothiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2,3-dihydrothiophene-2-carboxylic acid
PubChem CID89020811
Molecular FormulaC8H10O2S
Molecular Weight170.23 g/mol
Exact Mass170.04
IUPAC Name4-cyclopropyl-2,3-dihydrothiophene-2-carboxylic acid
SMILESO=C(O)C1CC(C2CC2)=CS1
InChIInChI=1S/C8H10O2S/c9-8(10)7-3-6(4-11-7)5-1-2-5/h4-5,7H,1-3H2,(H,9,10)
InChIKeyILEZJZSIHHLCHT-UHFFFAOYSA-N
XLogP1.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-cyclopropyl-2,3-dihydrothiophene-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 4-cyclopropyl-2,3-dihydrothiophene-2-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2,3-dihydrothiophene-2-carboxylic acid (CID 89020811) is 4-cyclopropyl-2,3-dihydrothiophene-2-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2,3-dihydrothiophene-2-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2,3-dihydrothiophene-2-carboxylic acid is O=C(O)C1CC(C2CC2)=CS1.
What is the InChIKey of 4-cyclopropyl-2,3-dihydrothiophene-2-carboxylic acid?
The InChIKey is ILEZJZSIHHLCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2S/c9-8(10)7-3-6(4-11-7)5-1-2-5/h4-5,7H,1-3H2,(H,9,10).
What are the key properties of 4-cyclopropyl-2,3-dihydrothiophene-2-carboxylic acid?
4-cyclopropyl-2,3-dihydrothiophene-2-carboxylic acid has a molecular weight of 170.23 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2,3-dihydrothiophene-2-carboxylic acid is sourced from PubChem (CID 89020811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).