6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one

C9H15NO2 — CID 573423

IUPAC6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCN1C2CCC(O)C1CC(=O)C2
InChIInChI=1S/C9H15NO2/c1-10-6-2-3-9(12)8(10)5-7(11)4-6/h6,8-9,12H,2-5H2,1H3
InChIKeyWJAKYLLDXQDVCQ-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.17
Rot. Bonds

About 6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one

6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 573423) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID573423
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCN1C2CCC(O)C1CC(=O)C2
InChIInChI=1S/C9H15NO2/c1-10-6-2-3-9(12)8(10)5-7(11)4-6/h6,8-9,12H,2-5H2,1H3
InChIKeyWJAKYLLDXQDVCQ-UHFFFAOYSA-N
XLogP0.17
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of 6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one (CID 573423) is 6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for 6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for 6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one is CN1C2CCC(O)C1CC(=O)C2.
What is the InChIKey of 6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is WJAKYLLDXQDVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-10-6-2-3-9(12)8(10)5-7(11)4-6/h6,8-9,12H,2-5H2,1H3.
What are the key properties of 6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one?
6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 169.22 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 573423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).