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

C9H15NO — CID 6602484

IUPAC(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCN1[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/t7-,8+
InChIKeyRHWSKVCZXBAWLZ-OCAPTIKFSA-N
MW153.23 g/mol
LogP1.20
Rot. Bonds

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

(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one (PubChem CID 6602484) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one
PubChem CID6602484
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one
SMILESCN1[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/t7-,8+
InChIKeyRHWSKVCZXBAWLZ-OCAPTIKFSA-N
XLogP1.20
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one (CID 6602484) is (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one is CN1[C@@H]2CCC[C@H]1CC(=O)C2.
What is the InChIKey of (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is RHWSKVCZXBAWLZ-OCAPTIKFSA-N. 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/t7-,8+.
What are the key properties of (1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one?
(1R,5S)-9-methyl-9-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 153.23 g/mol, XLogP of 1.20, 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 is sourced from PubChem (CID 6602484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).