(1R,5S)-9-azabicyclo[3.3.1]nonan-3-one

C8H13NO — CID 15646118

IUPAC(1R,5S)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1C[C@H]2CCC[C@@H](C1)N2
InChIInChI=1S/C8H13NO/c10-8-4-6-2-1-3-7(5-8)9-6/h6-7,9H,1-5H2/t6-,7+
InChIKeyJIYPUEZSSJAXBO-KNVOCYPGSA-N
MW139.20 g/mol
LogP0.86
Rot. Bonds

About (1R,5S)-9-azabicyclo[3.3.1]nonan-3-one

(1R,5S)-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 15646118) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (1R,5S)-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name(1R,5S)-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID15646118
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(1R,5S)-9-azabicyclo[3.3.1]nonan-3-one
SMILESO=C1C[C@H]2CCC[C@@H](C1)N2
InChIInChI=1S/C8H13NO/c10-8-4-6-2-1-3-7(5-8)9-6/h6-7,9H,1-5H2/t6-,7+
InChIKeyJIYPUEZSSJAXBO-KNVOCYPGSA-N
XLogP0.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-9-azabicyclo[3.3.1]nonan-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 (1R,5S)-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of (1R,5S)-9-azabicyclo[3.3.1]nonan-3-one (CID 15646118) is (1R,5S)-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for (1R,5S)-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for (1R,5S)-9-azabicyclo[3.3.1]nonan-3-one is O=C1C[C@H]2CCC[C@@H](C1)N2.
What is the InChIKey of (1R,5S)-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is JIYPUEZSSJAXBO-KNVOCYPGSA-N. The full InChI is InChI=1S/C8H13NO/c10-8-4-6-2-1-3-7(5-8)9-6/h6-7,9H,1-5H2/t6-,7+.
What are the key properties of (1R,5S)-9-azabicyclo[3.3.1]nonan-3-one?
(1R,5S)-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 139.20 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-9-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 15646118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).