2-(methoxymethyl)-6-methyl-1-azabicyclo[2.2.2]octan-3-one

C10H17NO2 — CID 172745333

IUPAC2-(methoxymethyl)-6-methyl-1-azabicyclo[2.2.2]octan-3-one
SMILESCOCC1C(=O)C2CCN1C(C)C2
InChIInChI=1S/C10H17NO2/c1-7-5-8-3-4-11(7)9(6-13-2)10(8)12/h7-9H,3-6H2,1-2H3
InChIKeyJQKUSTCNNOPNQY-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.68
Rot. Bonds2

About 2-(methoxymethyl)-6-methyl-1-azabicyclo[2.2.2]octan-3-one

2-(methoxymethyl)-6-methyl-1-azabicyclo[2.2.2]octan-3-one (PubChem CID 172745333) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-methyl-1-azabicyclo[2.2.2]octan-3-one.

Molecular Properties

Compound Name2-(methoxymethyl)-6-methyl-1-azabicyclo[2.2.2]octan-3-one
PubChem CID172745333
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name2-(methoxymethyl)-6-methyl-1-azabicyclo[2.2.2]octan-3-one
SMILESCOCC1C(=O)C2CCN1C(C)C2
InChIInChI=1S/C10H17NO2/c1-7-5-8-3-4-11(7)9(6-13-2)10(8)12/h7-9H,3-6H2,1-2H3
InChIKeyJQKUSTCNNOPNQY-UHFFFAOYSA-N
XLogP0.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-methyl-1-azabicyclo[2.2.2]octan-3-one?
The IUPAC name of 2-(methoxymethyl)-6-methyl-1-azabicyclo[2.2.2]octan-3-one (CID 172745333) is 2-(methoxymethyl)-6-methyl-1-azabicyclo[2.2.2]octan-3-one.
What is the SMILES notation for 2-(methoxymethyl)-6-methyl-1-azabicyclo[2.2.2]octan-3-one?
The canonical SMILES for 2-(methoxymethyl)-6-methyl-1-azabicyclo[2.2.2]octan-3-one is COCC1C(=O)C2CCN1C(C)C2.
What is the InChIKey of 2-(methoxymethyl)-6-methyl-1-azabicyclo[2.2.2]octan-3-one?
The InChIKey is JQKUSTCNNOPNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-7-5-8-3-4-11(7)9(6-13-2)10(8)12/h7-9H,3-6H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-6-methyl-1-azabicyclo[2.2.2]octan-3-one?
2-(methoxymethyl)-6-methyl-1-azabicyclo[2.2.2]octan-3-one has a molecular weight of 183.25 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-methyl-1-azabicyclo[2.2.2]octan-3-one is sourced from PubChem (CID 172745333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).