2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

C11H19NO3 — CID 114390110

IUPAC2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCCOCC(=O)N1CC=C(COC)CC1
InChIInChI=1S/C11H19NO3/c1-3-15-9-11(13)12-6-4-10(5-7-12)8-14-2/h4H,3,5-9H2,1-2H3
InChIKeyZRDLJYDLDOIGTF-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.83
Rot. Bonds5

About 2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone

2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 114390110) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID114390110
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCCOCC(=O)N1CC=C(COC)CC1
InChIInChI=1S/C11H19NO3/c1-3-15-9-11(13)12-6-4-10(5-7-12)8-14-2/h4H,3,5-9H2,1-2H3
InChIKeyZRDLJYDLDOIGTF-UHFFFAOYSA-N
XLogP0.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 59091848
ethane;2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 155686624
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-(3-methylazetidin-3-yl)oxyethanone
CID 102656646
2-hydroxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 103430566
2-(2-methoxyethoxy)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 103852164
1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone
CID 103852184
2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-methylpropan-1-one
CID 104919712
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-2-propoxyethanone
CID 104919714
2-methoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 106316924
1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-2-propoxyethanone
CID 106316926
2-ethoxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 106316928
2-(2-methoxyethoxy)-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 106316929

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 114390110) is 2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is CCOCC(=O)N1CC=C(COC)CC1.
What is the InChIKey of 2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is ZRDLJYDLDOIGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-15-9-11(13)12-6-4-10(5-7-12)8-14-2/h4H,3,5-9H2,1-2H3.
What are the key properties of 2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 213.28 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 114390110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).