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

C9H16ClNO — CID 6419951

IUPAC(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride
SMILESCN1[C@@H]2CCC[C@H]1CC(=O)C2.Cl
InChIInChI=1S/C9H15NO.ClH/c1-10-7-3-2-4-8(10)6-9(11)5-7;/h7-8H,2-6H2,1H3;1H/t7-,8+;
InChIKeyCVGRGXQEVKWHHS-KVZVIFLMSA-N
MW189.69 g/mol
LogP1.62
Rot. Bonds

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

(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride (PubChem CID 6419951) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride.

Molecular Properties

Compound Name(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride
PubChem CID6419951
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride
SMILESCN1[C@@H]2CCC[C@H]1CC(=O)C2.Cl
InChIInChI=1S/C9H15NO.ClH/c1-10-7-3-2-4-8(10)6-9(11)5-7;/h7-8H,2-6H2,1H3;1H/t7-,8+;
InChIKeyCVGRGXQEVKWHHS-KVZVIFLMSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride 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-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride?
The IUPAC name of (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride (CID 6419951) is (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride.
What is the SMILES notation for (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride?
The canonical SMILES for (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride is CN1[C@@H]2CCC[C@H]1CC(=O)C2.Cl.
What is the InChIKey of (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride?
The InChIKey is CVGRGXQEVKWHHS-KVZVIFLMSA-N. The full InChI is InChI=1S/C9H15NO.ClH/c1-10-7-3-2-4-8(10)6-9(11)5-7;/h7-8H,2-6H2,1H3;1H/t7-,8+;.
What are the key properties of (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride?
(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride has a molecular weight of 189.69 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride is sourced from PubChem (CID 6419951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).