ethyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate

C13H15NO3S — CID 101075049

IUPACethyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)CC1c1cccs1
InChIInChI=1S/C13H15NO3S/c1-3-17-13(16)12-8(2)14-11(15)7-9(12)10-5-4-6-18-10/h4-6,9H,3,7H2,1-2H3,(H,14,15)
InChIKeyRQQBGHHEPMAEMX-UHFFFAOYSA-N
MW265.33 g/mol
LogP2.19
Rot. Bonds3

About ethyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate

ethyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate (PubChem CID 101075049) has the molecular formula C13H15NO3S and a molecular weight of 265.33 g/mol. Its IUPAC name is ethyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate
PubChem CID101075049
Molecular FormulaC13H15NO3S
Molecular Weight265.33 g/mol
Exact Mass265.08
IUPAC Nameethyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate
SMILESCCOC(=O)C1=C(C)NC(=O)CC1c1cccs1
InChIInChI=1S/C13H15NO3S/c1-3-17-13(16)12-8(2)14-11(15)7-9(12)10-5-4-6-18-10/h4-6,9H,3,7H2,1-2H3,(H,14,15)
InChIKeyRQQBGHHEPMAEMX-UHFFFAOYSA-N
XLogP2.19
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate (CID 101075049) is ethyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate is CCOC(=O)C1=C(C)NC(=O)CC1c1cccs1.
What is the InChIKey of ethyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate?
The InChIKey is RQQBGHHEPMAEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3S/c1-3-17-13(16)12-8(2)14-11(15)7-9(12)10-5-4-6-18-10/h4-6,9H,3,7H2,1-2H3,(H,14,15).
What are the key properties of ethyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate?
ethyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate has a molecular weight of 265.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyridine-5-carboxylate is sourced from PubChem (CID 101075049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).