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

C9H15NO2 — CID 114390138

IUPAC1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOCC1=CCN(C(C)=O)CC1
InChIInChI=1S/C9H15NO2/c1-8(11)10-5-3-9(4-6-10)7-12-2/h3H,4-7H2,1-2H3
InChIKeyZZBIXUGIJXRFJN-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.81
Rot. Bonds2

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

1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (PubChem CID 114390138) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
PubChem CID114390138
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
SMILESCOCC1=CCN(C(C)=O)CC1
InChIInChI=1S/C9H15NO2/c1-8(11)10-5-3-9(4-6-10)7-12-2/h3H,4-7H2,1-2H3
InChIKeyZZBIXUGIJXRFJN-UHFFFAOYSA-N
XLogP0.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methoxymethyl-1-methyl-1,2,3,6-tetrahydropyridine
CID 14442212
2,2-difluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 103516108
2,2,3,3-tetrafluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 113586007
2,2,3,3,3-pentafluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]propan-1-one
CID 114038258
2,2,2-trifluoroethyl 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 114413630
2,2,2-trifluoro-1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 114413635
1-Ethyl-4-methoxymethyl-1,2,3,6-tetrahydropyridine
CID 14442214
4-(methoxymethyl)-1,1-dimethyl-3,6-dihydro-2H-pyridin-1-ium
CID 14442230
N-(3,6-dihydro-2H-pyran-4-ylmethyl)acetamide
CID 70641338
tert-butyl 4-(methoxymethyl)-3,6-dihydro-2H-pyridine-1-carboxylate
CID 114393268
2-methoxy-1-methyl-3-propan-2-yl-2H-pyrrol-5-one
CID 146290006
3-ethyl-2-methoxy-1-methyl-2H-pyrrol-5-one
CID 146290009

Frequently Asked Questions

What is the IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The IUPAC name of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone (CID 114390138) is 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The canonical SMILES for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is COCC1=CCN(C(C)=O)CC1.
What is the InChIKey of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
The InChIKey is ZZBIXUGIJXRFJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-8(11)10-5-3-9(4-6-10)7-12-2/h3H,4-7H2,1-2H3.
What are the key properties of 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone?
1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone has a molecular weight of 169.22 g/mol, XLogP of 0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone is sourced from PubChem (CID 114390138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).