1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone

C11H19NO — CID 70331158

IUPAC1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone
SMILESCC(=O)C1C2CCCC(CC2)N1C
InChIInChI=1S/C11H19NO/c1-8(13)11-9-4-3-5-10(7-6-9)12(11)2/h9-11H,3-7H2,1-2H3
InChIKeyDIVKUUYXXYLUKV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.84
Rot. Bonds1

About 1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone

1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone (PubChem CID 70331158) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone.

Molecular Properties

Compound Name1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone
PubChem CID70331158
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone
SMILESCC(=O)C1C2CCCC(CC2)N1C
InChIInChI=1S/C11H19NO/c1-8(13)11-9-4-3-5-10(7-6-9)12(11)2/h9-11H,3-7H2,1-2H3
InChIKeyDIVKUUYXXYLUKV-UHFFFAOYSA-N
XLogP1.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone?
The IUPAC name of 1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone (CID 70331158) is 1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone.
What is the SMILES notation for 1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone?
The canonical SMILES for 1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone is CC(=O)C1C2CCCC(CC2)N1C.
What is the InChIKey of 1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone?
The InChIKey is DIVKUUYXXYLUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8(13)11-9-4-3-5-10(7-6-9)12(11)2/h9-11H,3-7H2,1-2H3.
What are the key properties of 1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone?
1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone has a molecular weight of 181.28 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone is sourced from PubChem (CID 70331158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).