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

C9H16NO+ — CID 11877144

IUPAC(1S,5R)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one
SMILESC[NH+]1[C@@H]2CCC[C@H]1CC(=O)C2
InChIInChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3/p+1/t7-,8+
InChIKeyRHWSKVCZXBAWLZ-OCAPTIKFSA-O
MW154.23 g/mol
LogP-0.21
Rot. Bonds

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

(1S,5R)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one (PubChem CID 11877144) has the molecular formula C9H16NO+ and a molecular weight of 154.23 g/mol. Its IUPAC name is (1S,5R)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name(1S,5R)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one
PubChem CID11877144
Molecular FormulaC9H16NO+
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name(1S,5R)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one
SMILESC[NH+]1[C@@H]2CCC[C@H]1CC(=O)C2
InChIInChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3/p+1/t7-,8+
InChIKeyRHWSKVCZXBAWLZ-OCAPTIKFSA-O
XLogP-0.21
TPSA21.51 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one?
The IUPAC name of (1S,5R)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one (CID 11877144) is (1S,5R)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for (1S,5R)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for (1S,5R)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one is C[NH+]1[C@@H]2CCC[C@H]1CC(=O)C2.
What is the InChIKey of (1S,5R)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one?
The InChIKey is RHWSKVCZXBAWLZ-OCAPTIKFSA-O. The full InChI is InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3/p+1/t7-,8+.
What are the key properties of (1S,5R)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one?
(1S,5R)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one has a molecular weight of 154.23 g/mol, XLogP of -0.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-9-methyl-9-azoniabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 11877144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).