3-methyl-3-azabicyclo[3.3.1]nonan-7-one;hydrochloride

C9H16ClNO — CID 155973300

IUPAC3-methyl-3-azabicyclo[3.3.1]nonan-7-one;hydrochloride
SMILESCN1CC2CC(=O)CC(C2)C1.Cl
InChIInChI=1S/C9H15NO.ClH/c1-10-5-7-2-8(6-10)4-9(11)3-7;/h7-8H,2-6H2,1H3;1H
InChIKeyOHQSSJXZFSHETO-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.34
Rot. Bonds

About 3-methyl-3-azabicyclo[3.3.1]nonan-7-one;hydrochloride

3-methyl-3-azabicyclo[3.3.1]nonan-7-one;hydrochloride (PubChem CID 155973300) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is 3-methyl-3-azabicyclo[3.3.1]nonan-7-one;hydrochloride.

Molecular Properties

Compound Name3-methyl-3-azabicyclo[3.3.1]nonan-7-one;hydrochloride
PubChem CID155973300
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name3-methyl-3-azabicyclo[3.3.1]nonan-7-one;hydrochloride
SMILESCN1CC2CC(=O)CC(C2)C1.Cl
InChIInChI=1S/C9H15NO.ClH/c1-10-5-7-2-8(6-10)4-9(11)3-7;/h7-8H,2-6H2,1H3;1H
InChIKeyOHQSSJXZFSHETO-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-azabicyclo[3.3.1]nonan-7-one;hydrochloride?
The IUPAC name of 3-methyl-3-azabicyclo[3.3.1]nonan-7-one;hydrochloride (CID 155973300) is 3-methyl-3-azabicyclo[3.3.1]nonan-7-one;hydrochloride.
What is the SMILES notation for 3-methyl-3-azabicyclo[3.3.1]nonan-7-one;hydrochloride?
The canonical SMILES for 3-methyl-3-azabicyclo[3.3.1]nonan-7-one;hydrochloride is CN1CC2CC(=O)CC(C2)C1.Cl.
What is the InChIKey of 3-methyl-3-azabicyclo[3.3.1]nonan-7-one;hydrochloride?
The InChIKey is OHQSSJXZFSHETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.ClH/c1-10-5-7-2-8(6-10)4-9(11)3-7;/h7-8H,2-6H2,1H3;1H.
What are the key properties of 3-methyl-3-azabicyclo[3.3.1]nonan-7-one;hydrochloride?
3-methyl-3-azabicyclo[3.3.1]nonan-7-one;hydrochloride has a molecular weight of 189.69 g/mol, XLogP of 1.34, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-azabicyclo[3.3.1]nonan-7-one;hydrochloride is sourced from PubChem (CID 155973300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).