(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one

C9H15NO — CID 131180143

IUPAC(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one
SMILESCN1CC[C@@H]2CCC(=O)[C@H]1C2
InChIInChI=1S/C9H15NO/c1-10-5-4-7-2-3-9(11)8(10)6-7/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyGSCZWUJHQWEXTC-JGVFFNPUSA-N
MW153.23 g/mol
LogP1.06
Rot. Bonds

About (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one

(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one (PubChem CID 131180143) 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-8-one.

Molecular Properties

Compound Name(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one
PubChem CID131180143
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one
SMILESCN1CC[C@@H]2CCC(=O)[C@H]1C2
InChIInChI=1S/C9H15NO/c1-10-5-4-7-2-3-9(11)8(10)6-7/h7-8H,2-6H2,1H3/t7-,8+/m0/s1
InChIKeyGSCZWUJHQWEXTC-JGVFFNPUSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-azabicyclo[3.3.1]nonan-7-one
CID 12380050
2-(3,5-Dimethylpiperidin-1-yl)cyclohexan-1-one
CID 43794282
(1S,5S,8S)-2,4,8-trimethyl-2-azabicyclo[3.3.1]nonan-9-one
CID 134858409
(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-7-one
CID 134858420
2-Methyl-2-azatricyclo[5.3.1.03,8]undecan-4-one
CID 121220899
9-Methyl-1-azabicyclo[3.3.1]nonan-3-one
CID 54270404
1-[1-(Cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
CID 58533004
1-(2-Methyl-2-azabicyclo[4.2.0]octan-3-yl)ethanone
CID 58849808
1-(7-Methyl-7-azabicyclo[4.2.2]decan-8-yl)ethanone
CID 59400951
8-Methyl-1-azabicyclo[3.3.1]nonan-4-one
CID 60138414
1-[1-(Cyclohexylmethyl)piperidin-2-yl]ethanone
CID 63844288
1-(1-Methyl-4-propylpiperidin-2-yl)ethanone
CID 68267362

Frequently Asked Questions

What is the IUPAC name of (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one?
The IUPAC name of (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one (CID 131180143) is (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one.
What is the SMILES notation for (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one?
The canonical SMILES for (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one is CN1CC[C@@H]2CCC(=O)[C@H]1C2.
What is the InChIKey of (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one?
The InChIKey is GSCZWUJHQWEXTC-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO/c1-10-5-4-7-2-3-9(11)8(10)6-7/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-8-one?
(1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one has a molecular weight of 153.23 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S)-2-methyl-2-azabicyclo[3.3.1]nonan-8-one is sourced from PubChem (CID 131180143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).