(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one

C9H15NO — CID 10582975

IUPAC(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one
SMILESCN1C(=O)C[C@H]2CCC[C@@H]1C2
InChIInChI=1S/C9H15NO/c1-10-8-4-2-3-7(5-8)6-9(10)11/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyGNDPAUUUAQUQQO-JGVFFNPUSA-N
MW153.23 g/mol
LogP1.41
Rot. Bonds

About (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one

(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one (PubChem CID 10582975) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one.

Molecular Properties

Compound Name(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one
PubChem CID10582975
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one
SMILESCN1C(=O)C[C@H]2CCC[C@@H]1C2
InChIInChI=1S/C9H15NO/c1-10-8-4-2-3-7(5-8)6-9(10)11/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyGNDPAUUUAQUQQO-JGVFFNPUSA-N
XLogP1.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Piperidine, 1-(cyclohexylcarbonyl)-2,6-dimethyl-
CID 199799
Cyclohexyl(2-methylpiperidin-1-yl)methanone
CID 558510
1-Azabicyclo(3.3.2)nonan-2-one
CID 144646
2-Methyl-2-azabicyclo[3.3.1]nonan-7-one
CID 12380050
4-Ethyl-4-azabicyclo[3.3.1]nonan-3-one
CID 269578
1-Cyclohexylcarbonyl-2-ethylpiperidine
CID 2915910
Piperidine, 2-ethyl-1-((2-methylcyclohexyl)carbonyl)-
CID 3049452
2-Azabicyclo[2,2,2]-octanone-3, 2-methyl-
CID 20262219
1-(3-Cyclohexylpropanoyl)-2-ethylpiperidine
CID 2939379
2-Azabicyclo[3.3.1]nonan-3-one
CID 240603
N-methyldecahydroquinolone
CID 85934367
1-[(1R,5R)-3-ethyl-5-fluorocyclohexyl]piperidin-2-one
CID 174318469

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one?
The IUPAC name of (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one (CID 10582975) is (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one.
What is the SMILES notation for (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one?
The canonical SMILES for (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one is CN1C(=O)C[C@H]2CCC[C@@H]1C2.
What is the InChIKey of (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one?
The InChIKey is GNDPAUUUAQUQQO-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-8-4-2-3-7(5-8)6-9(10)11/h7-8H,2-6H2,1H3/t7-,8+/m0/s1.
What are the key properties of (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one?
(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one has a molecular weight of 153.23 g/mol, XLogP of 1.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-3-one is sourced from PubChem (CID 10582975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).