3-ethoxy-2-ethyl-1,2-dihydropyridine

C9H15NO — CID 173058165

IUPAC3-ethoxy-2-ethyl-1,2-dihydropyridine
SMILESCCOC1=CC=CNC1CC
InChIInChI=1S/C9H15NO/c1-3-8-9(11-4-2)6-5-7-10-8/h5-8,10H,3-4H2,1-2H3
InChIKeyOQLQAOCFZOUBGZ-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.80
Rot. Bonds3

About 3-ethoxy-2-ethyl-1,2-dihydropyridine

3-ethoxy-2-ethyl-1,2-dihydropyridine (PubChem CID 173058165) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-1,2-dihydropyridine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-1,2-dihydropyridine
PubChem CID173058165
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name3-ethoxy-2-ethyl-1,2-dihydropyridine
SMILESCCOC1=CC=CNC1CC
InChIInChI=1S/C9H15NO/c1-3-8-9(11-4-2)6-5-7-10-8/h5-8,10H,3-4H2,1-2H3
InChIKeyOQLQAOCFZOUBGZ-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-1,2-dihydropyridine?
The IUPAC name of 3-ethoxy-2-ethyl-1,2-dihydropyridine (CID 173058165) is 3-ethoxy-2-ethyl-1,2-dihydropyridine.
What is the SMILES notation for 3-ethoxy-2-ethyl-1,2-dihydropyridine?
The canonical SMILES for 3-ethoxy-2-ethyl-1,2-dihydropyridine is CCOC1=CC=CNC1CC.
What is the InChIKey of 3-ethoxy-2-ethyl-1,2-dihydropyridine?
The InChIKey is OQLQAOCFZOUBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-8-9(11-4-2)6-5-7-10-8/h5-8,10H,3-4H2,1-2H3.
What are the key properties of 3-ethoxy-2-ethyl-1,2-dihydropyridine?
3-ethoxy-2-ethyl-1,2-dihydropyridine has a molecular weight of 153.22 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-1,2-dihydropyridine is sourced from PubChem (CID 173058165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).