5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid

C9H8O3S — CID 84720733

IUPAC5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)C2CC2)s1
InChIInChI=1S/C9H8O3S/c10-8(5-1-2-5)6-3-4-7(13-6)9(11)12/h3-5H,1-2H2,(H,11,12)
InChIKeyGBZNKGUIANQDIB-UHFFFAOYSA-N
MW196.23 g/mol
LogP2.04
Rot. Bonds3

About 5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid

5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid (PubChem CID 84720733) has the molecular formula C9H8O3S and a molecular weight of 196.23 g/mol. Its IUPAC name is 5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid
PubChem CID84720733
Molecular FormulaC9H8O3S
Molecular Weight196.23 g/mol
Exact Mass196.02
IUPAC Name5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)C2CC2)s1
InChIInChI=1S/C9H8O3S/c10-8(5-1-2-5)6-3-4-7(13-6)9(11)12/h3-5H,1-2H2,(H,11,12)
InChIKeyGBZNKGUIANQDIB-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

thiophene-2,5-dicarboxylic acid;dihydrochloride
CID 68502106
5-[(Z)-N-(cyclopropanecarbonylamino)-C-methylcarbonimidoyl]thiophene-2-carboxylic acid
CID 8826199
(5-bromothiophen-2-yl)-cyclooctylmethanone
CID 65018784
5-(2-methylpropanoyl)thiophene-2-carboxylic acid
CID 59462743
5-(4-methylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 43414439
5-(3,4-dihydroxypyrrolidine-1-carbonyl)thiophene-2-carboxylic acid
CID 106670963
5-[(1-cyclopropylethylamino)methyl]thiophene-2-carboxylic acid
CID 103238535
cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone
CID 43154050
cyclopropyl-[5-(2,3-dimethylphenyl)thiophen-2-yl]methanone
CID 43154038
5-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)thiophene-2-carboxylic acid
CID 79169988
5-[cyclopropyl(3-methylbutyl)carbamoyl]thiophene-2-carboxylic acid
CID 115281184
5-(2,3-dimethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 62122760

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid?
The IUPAC name of 5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid (CID 84720733) is 5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid.
What is the SMILES notation for 5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid?
The canonical SMILES for 5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid is O=C(O)c1ccc(C(=O)C2CC2)s1.
What is the InChIKey of 5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid?
The InChIKey is GBZNKGUIANQDIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3S/c10-8(5-1-2-5)6-3-4-7(13-6)9(11)12/h3-5H,1-2H2,(H,11,12).
What are the key properties of 5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid?
5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid has a molecular weight of 196.23 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonyl)thiophene-2-carboxylic acid is sourced from PubChem (CID 84720733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).