ethyl 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

C12H15NO3S — CID 91008272

IUPACethyl 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1csc2c1CCN(C(C)=O)C2
InChIInChI=1S/C12H15NO3S/c1-3-16-12(15)10-7-17-11-6-13(8(2)14)5-4-9(10)11/h7H,3-6H2,1-2H3
InChIKeyUSFBGTYESQEWBH-UHFFFAOYSA-N
MW253.32 g/mol
LogP1.83
Rot. Bonds2

About ethyl 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate

ethyl 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (PubChem CID 91008272) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is ethyl 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
PubChem CID91008272
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Nameethyl 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1csc2c1CCN(C(C)=O)C2
InChIInChI=1S/C12H15NO3S/c1-3-16-12(15)10-7-17-11-6-13(8(2)14)5-4-9(10)11/h7H,3-6H2,1-2H3
InChIKeyUSFBGTYESQEWBH-UHFFFAOYSA-N
XLogP1.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate (CID 91008272) is ethyl 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is CCOC(=O)c1csc2c1CCN(C(C)=O)C2.
What is the InChIKey of ethyl 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
The InChIKey is USFBGTYESQEWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-3-16-12(15)10-7-17-11-6-13(8(2)14)5-4-9(10)11/h7H,3-6H2,1-2H3.
What are the key properties of ethyl 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate?
ethyl 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate has a molecular weight of 253.32 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-acetyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 91008272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).