9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride

C9H16ClNO — CID 2724428

IUPAC9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride
SMILESCN1C2CCCC1CC(=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
InChIKeyCVGRGXQEVKWHHS-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.62
Rot. Bonds

About 9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride

9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride (PubChem CID 2724428) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride.

Molecular Properties

Compound Name9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride
PubChem CID2724428
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride
SMILESCN1C2CCCC1CC(=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
InChIKeyCVGRGXQEVKWHHS-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride?
The IUPAC name of 9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride (CID 2724428) is 9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride.
What is the SMILES notation for 9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride?
The canonical SMILES for 9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride is CN1C2CCCC1CC(=O)C2.Cl.
What is the InChIKey of 9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride?
The InChIKey is CVGRGXQEVKWHHS-UHFFFAOYSA-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.
What are the key properties of 9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride?
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 9-methyl-9-azabicyclo[3.3.1]nonan-3-one;hydrochloride is sourced from PubChem (CID 2724428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).