1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone

C11H17NO — CID 22216681

IUPAC1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone
SMILESCC(=O)C12CC1C[C@@H]1CC[C@H]2N1C
InChIInChI=1S/C11H17NO/c1-7(13)11-6-8(11)5-9-3-4-10(11)12(9)2/h8-10H,3-6H2,1-2H3/t8?,9-,10+,11?/m0/s1
InChIKeyBNNUPPJRZQVWSB-LIZLNQBYSA-N
MW179.26 g/mol
LogP1.45
Rot. Bonds1

About 1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone

1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone (PubChem CID 22216681) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone
PubChem CID22216681
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone
SMILESCC(=O)C12CC1C[C@@H]1CC[C@H]2N1C
InChIInChI=1S/C11H17NO/c1-7(13)11-6-8(11)5-9-3-4-10(11)12(9)2/h8-10H,3-6H2,1-2H3/t8?,9-,10+,11?/m0/s1
InChIKeyBNNUPPJRZQVWSB-LIZLNQBYSA-N
XLogP1.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone with MolForge

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Related Compounds

1-(3-Cyclohexyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458599
1-(3-Ethyl-8-methyl-8-aza-bicyclo[3.2.1]oct-2-yl)-propan-1-one
CID 44458623
1-(8-Methyl-8-azabicyclo[3.2.1]octan-2-yl)ethanone
CID 18995706
2beta-Propanoyl tropane
CID 129712120
Tropane, 2-acetyl-2,3-methylene-
CID 585836
1-[(1R,2S,3S,5S)-3-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]propan-1-one
CID 10242199
(1S,5R)-8-methyl-2-propan-2-yl-8-azabicyclo[3.2.1]octan-3-one
CID 102234242
3,4,6,6,7,7,8-Heptamethyl-8-azabicyclo[3.2.1]octan-2-one
CID 22949078
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-2-one
CID 83906543
3-Methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)butan-2-one
CID 85280071
2-(3,6-Dimethyl-6-azabicyclo[3.2.2]nonan-3-yl)-1-(2,2,3,3-tetramethylcyclopropyl)propan-1-one
CID 90743436
8-Methyl-2-propanoyl-8-azabicyclo[3.2.1]octan-3-one
CID 91373726

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone?
The IUPAC name of 1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone (CID 22216681) is 1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone.
What is the SMILES notation for 1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone?
The canonical SMILES for 1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone is CC(=O)C12CC1C[C@@H]1CC[C@H]2N1C.
What is the InChIKey of 1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone?
The InChIKey is BNNUPPJRZQVWSB-LIZLNQBYSA-N. The full InChI is InChI=1S/C11H17NO/c1-7(13)11-6-8(11)5-9-3-4-10(11)12(9)2/h8-10H,3-6H2,1-2H3/t8?,9-,10+,11?/m0/s1.
What are the key properties of 1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone?
1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone has a molecular weight of 179.26 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,6S)-9-methyl-9-azatricyclo[4.2.1.02,4]nonan-2-yl]ethanone is sourced from PubChem (CID 22216681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).