2-(2-methoxyethoxy)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C11H19NO3 — CID 103852164

IUPAC2-(2-methoxyethoxy)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCOCCOCC(=O)N1CC=C(C)CC1
InChIInChI=1S/C11H19NO3/c1-10-3-5-12(6-4-10)11(13)9-15-8-7-14-2/h3H,4-9H2,1-2H3
InChIKeyMNSSTFQSLDEUEH-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.83
Rot. Bonds5

About 2-(2-methoxyethoxy)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

2-(2-methoxyethoxy)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 103852164) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID103852164
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name2-(2-methoxyethoxy)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCOCCOCC(=O)N1CC=C(C)CC1
InChIInChI=1S/C11H19NO3/c1-10-3-5-12(6-4-10)11(13)9-15-8-7-14-2/h3H,4-9H2,1-2H3
InChIKeyMNSSTFQSLDEUEH-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-(2-methoxyethoxy)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 103852164) is 2-(2-methoxyethoxy)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-(2-methoxyethoxy)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-(2-methoxyethoxy)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is COCCOCC(=O)N1CC=C(C)CC1.
What is the InChIKey of 2-(2-methoxyethoxy)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is MNSSTFQSLDEUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10-3-5-12(6-4-10)11(13)9-15-8-7-14-2/h3H,4-9H2,1-2H3.
What are the key properties of 2-(2-methoxyethoxy)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
2-(2-methoxyethoxy)-1-(4-methyl-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-(2-methoxyethoxy)-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 103852164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).