2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid

C9H8O3S — CID 123320476

IUPAC2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)c1ccsc1
InChIInChI=1S/C9H8O3S/c10-8(5-1-2-13-4-5)6-3-7(6)9(11)12/h1-2,4,6-7H,3H2,(H,11,12)
InChIKeyBIQLRHLRKFKJLM-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.65
Rot. Bonds3

About 2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid

2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid (PubChem CID 123320476) has the molecular formula C9H8O3S and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid
PubChem CID123320476
Molecular FormulaC9H8O3S
Molecular Weight196.23 g/mol
Exact Mass196.02
IUPAC Name2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)c1ccsc1
InChIInChI=1S/C9H8O3S/c10-8(5-1-2-13-4-5)6-3-7(6)9(11)12/h1-2,4,6-7H,3H2,(H,11,12)
InChIKeyBIQLRHLRKFKJLM-UHFFFAOYSA-N
XLogP1.65
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(thiophene-3-carbonyl)cyclopropane-1-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

trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673
(2-methylpyrrolidin-3-yl)-thiophen-3-ylmethanone
CID 116592037
(2-aminocyclohexyl)-thiophen-3-ylmethanone
CID 116579819
2-(5-chlorothiophene-3-carbonyl)cyclopropane-1-carboxylic acid
CID 10059758
(2-aminocycloheptyl)-thiophen-3-ylmethanone
CID 116595140
2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid
CID 22939230
2-(1H-pyrrole-3-carbonyl)cyclopropane-1-carboxylic acid
CID 116918530
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-3-ylmethanone
CID 5171625
oxan-4-yl(thiophen-3-yl)methanone
CID 18994237
(1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)-thiophen-3-ylmethanone chloride
CID 163331429
[(2S,3R)-3-phenyloxiran-2-yl]-thiophen-3-ylmethanone
CID 102037295

Frequently Asked Questions

What is the IUPAC name of 2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid (CID 123320476) is 2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)c1ccsc1.
What is the InChIKey of 2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid?
The InChIKey is BIQLRHLRKFKJLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3S/c10-8(5-1-2-13-4-5)6-3-7(6)9(11)12/h1-2,4,6-7H,3H2,(H,11,12).
What are the key properties of 2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid?
2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid has a molecular weight of 196.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophene-3-carbonyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 123320476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).