1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carboxylic acid

C13H15NO3S — CID 62096220

IUPAC1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N2CCc3sccc3C2)CCC1
InChIInChI=1S/C13H15NO3S/c15-11(13(12(16)17)4-1-5-13)14-6-2-10-9(8-14)3-7-18-10/h3,7H,1-2,4-6,8H2,(H,16,17)
InChIKeyOLQHCDHBOMFTFQ-UHFFFAOYSA-N
MW265.33 g/mol
LogP1.89
Rot. Bonds2

About 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carboxylic acid

1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carboxylic acid (PubChem CID 62096220) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carboxylic acid
PubChem CID62096220
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Name1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(C(=O)N2CCc3sccc3C2)CCC1
InChIInChI=1S/C13H15NO3S/c15-11(13(12(16)17)4-1-5-13)14-6-2-10-9(8-14)3-7-18-10/h3,7H,1-2,4-6,8H2,(H,16,17)
InChIKeyOLQHCDHBOMFTFQ-UHFFFAOYSA-N
XLogP1.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carboxylic acid (CID 62096220) is 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carboxylic acid is O=C(O)C1(C(=O)N2CCc3sccc3C2)CCC1.
What is the InChIKey of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carboxylic acid?
The InChIKey is OLQHCDHBOMFTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c15-11(13(12(16)17)4-1-5-13)14-6-2-10-9(8-14)3-7-18-10/h3,7H,1-2,4-6,8H2,(H,16,17).
What are the key properties of 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carboxylic acid?
1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 62096220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).