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

C9H15NO2 — CID 12721382

IUPAC2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one
SMILESCOCC1C(=O)C2CCN1CC2
InChIInChI=1S/C9H15NO2/c1-12-6-8-9(11)7-2-4-10(8)5-3-7/h7-8H,2-6H2,1H3
InChIKeyLXISYVOALOFGEU-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.30
Rot. Bonds2

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

2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one (PubChem CID 12721382) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one.

Molecular Properties

Compound Name2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one
PubChem CID12721382
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one
SMILESCOCC1C(=O)C2CCN1CC2
InChIInChI=1S/C9H15NO2/c1-12-6-8-9(11)7-2-4-10(8)5-3-7/h7-8H,2-6H2,1H3
InChIKeyLXISYVOALOFGEU-UHFFFAOYSA-N
XLogP0.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one?
The IUPAC name of 2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one (CID 12721382) is 2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one.
What is the SMILES notation for 2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one?
The canonical SMILES for 2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one is COCC1C(=O)C2CCN1CC2.
What is the InChIKey of 2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one?
The InChIKey is LXISYVOALOFGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-12-6-8-9(11)7-2-4-10(8)5-3-7/h7-8H,2-6H2,1H3.
What are the key properties of 2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one?
2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.30, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-1-azabicyclo[2.2.2]octan-3-one is sourced from PubChem (CID 12721382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).