5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one

C10H17NO2 — CID 602970

IUPAC5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one
SMILESCOC12CCC(C)(CC1)NC(=O)C2
InChIInChI=1S/C10H17NO2/c1-9-3-5-10(13-2,6-4-9)7-8(12)11-9/h3-7H2,1-2H3,(H,11,12)
InChIKeyBPGMLKOWWLJQPB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds1

About 5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one

5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one (PubChem CID 602970) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is 5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one.

Molecular Properties

Compound Name5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one
PubChem CID602970
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one
SMILESCOC12CCC(C)(CC1)NC(=O)C2
InChIInChI=1S/C10H17NO2/c1-9-3-5-10(13-2,6-4-9)7-8(12)11-9/h3-7H2,1-2H3,(H,11,12)
InChIKeyBPGMLKOWWLJQPB-UHFFFAOYSA-N
XLogP1.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-ethoxy-4-methylazetidin-2-one
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2-methoxy-2-methylcyclopropan-1-one
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CID 66108931
4,4-dimethoxypiperidin-2-one
CID 150731285
6-methoxy-1-azaspiro[3.5]nonan-2-one
CID 106874445
3-methoxy-3-methylazepan-2-one
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2-methoxycarbonyl-4-oxoazetidine-2-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one?
The IUPAC name of 5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one (CID 602970) is 5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one.
What is the SMILES notation for 5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one?
The canonical SMILES for 5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one is COC12CCC(C)(CC1)NC(=O)C2.
What is the InChIKey of 5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one?
The InChIKey is BPGMLKOWWLJQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-9-3-5-10(13-2,6-4-9)7-8(12)11-9/h3-7H2,1-2H3,(H,11,12).
What are the key properties of 5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one?
5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one has a molecular weight of 183.25 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-2-azabicyclo[3.2.2]nonan-3-one is sourced from PubChem (CID 602970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).