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

C10H17NO3 — CID 114390130

IUPAC2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOCC(=O)N1CC=C(COC)CC1
InChIInChI=1S/C10H17NO3/c1-13-7-9-3-5-11(6-4-9)10(12)8-14-2/h3H,4-8H2,1-2H3
InChIKeyHNOBVJMQGKQTNA-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.44
Rot. Bonds4

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

2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 114390130) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID114390130
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOCC(=O)N1CC=C(COC)CC1
InChIInChI=1S/C10H17NO3/c1-13-7-9-3-5-11(6-4-9)10(12)8-14-2/h3H,4-8H2,1-2H3
InChIKeyHNOBVJMQGKQTNA-UHFFFAOYSA-N
XLogP0.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.44
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
2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
CID 70641609
ethane;2-methoxy-1-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 155686624
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
3-amino-2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 106113959
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

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 114390130) is 2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is COCC(=O)N1CC=C(COC)CC1.
What is the InChIKey of 2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is HNOBVJMQGKQTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-7-9-3-5-11(6-4-9)10(12)8-14-2/h3H,4-8H2,1-2H3.
What are the key properties of 2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 199.25 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 114390130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).