3-cyclobutyl-5-formylthiophene-2-carboxylic acid

C10H10O3S — CID 165449571

IUPAC3-cyclobutyl-5-formylthiophene-2-carboxylic acid
SMILESO=Cc1cc(C2CCC2)c(C(=O)O)s1
InChIInChI=1S/C10H10O3S/c11-5-7-4-8(6-2-1-3-6)9(14-7)10(12)13/h4-6H,1-3H2,(H,12,13)
InChIKeyGRMOSDYPCHPRKI-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.53
Rot. Bonds3

About 3-cyclobutyl-5-formylthiophene-2-carboxylic acid

3-cyclobutyl-5-formylthiophene-2-carboxylic acid (PubChem CID 165449571) has the molecular formula C10H10O3S and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-cyclobutyl-5-formylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-5-formylthiophene-2-carboxylic acid
PubChem CID165449571
Molecular FormulaC10H10O3S
Molecular Weight210.25 g/mol
Exact Mass210.04
IUPAC Name3-cyclobutyl-5-formylthiophene-2-carboxylic acid
SMILESO=Cc1cc(C2CCC2)c(C(=O)O)s1
InChIInChI=1S/C10H10O3S/c11-5-7-4-8(6-2-1-3-6)9(14-7)10(12)13/h4-6H,1-3H2,(H,12,13)
InChIKeyGRMOSDYPCHPRKI-UHFFFAOYSA-N
XLogP2.53
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-formylthiophene-2-carboxylic acid?
The IUPAC name of 3-cyclobutyl-5-formylthiophene-2-carboxylic acid (CID 165449571) is 3-cyclobutyl-5-formylthiophene-2-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-5-formylthiophene-2-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-5-formylthiophene-2-carboxylic acid is O=Cc1cc(C2CCC2)c(C(=O)O)s1.
What is the InChIKey of 3-cyclobutyl-5-formylthiophene-2-carboxylic acid?
The InChIKey is GRMOSDYPCHPRKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3S/c11-5-7-4-8(6-2-1-3-6)9(14-7)10(12)13/h4-6H,1-3H2,(H,12,13).
What are the key properties of 3-cyclobutyl-5-formylthiophene-2-carboxylic acid?
3-cyclobutyl-5-formylthiophene-2-carboxylic acid has a molecular weight of 210.25 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-formylthiophene-2-carboxylic acid is sourced from PubChem (CID 165449571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).