1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one

C15H25NOSi — CID 171950108

IUPAC1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one
SMILESCN1C2CCC1CC(C(=O)CC#C[Si](C)(C)C)C2
InChIInChI=1S/C15H25NOSi/c1-16-13-7-8-14(16)11-12(10-13)15(17)6-5-9-18(2,3)4/h12-14H,6-8,10-11H2,1-4H3
InChIKeyYQCROKXMNDLLMX-UHFFFAOYSA-N
MW263.46 g/mol
LogP2.70
Rot. Bonds2

About 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one (PubChem CID 171950108) has the molecular formula C15H25NOSi and a molecular weight of 263.46 g/mol. Its IUPAC name is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one.

Molecular Properties

Compound Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one
PubChem CID171950108
Molecular FormulaC15H25NOSi
Molecular Weight263.46 g/mol
Exact Mass263.17
IUPAC Name1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one
SMILESCN1C2CCC1CC(C(=O)CC#C[Si](C)(C)C)C2
InChIInChI=1S/C15H25NOSi/c1-16-13-7-8-14(16)11-12(10-13)15(17)6-5-9-18(2,3)4/h12-14H,6-8,10-11H2,1-4H3
InChIKeyYQCROKXMNDLLMX-UHFFFAOYSA-N
XLogP2.70
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 112680633
3-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)-3-oxopropanenitrile
CID 171938824
3-(1,3-dioxolan-2-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 171950750
3-cyclopentyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 114191946
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethanone
CID 171941088
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-methylsulfonylbutan-1-one
CID 112680687
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-(oxan-4-yl)methanone
CID 112680674
5-trimethylsilylpent-4-yn-2-one
CID 12685334
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 112680639
tert-butyl 3-hex-3-ynoyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171938548
2-(2-ethyl-1,2,4-triazol-3-yl)-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 112680629
methyl 9-methyl-9-azabicyclo[3.3.1]nonane-3-carboxylate
CID 171936317

Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one?
The IUPAC name of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one (CID 171950108) is 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one.
What is the SMILES notation for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one?
The canonical SMILES for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one is CN1C2CCC1CC(C(=O)CC#C[Si](C)(C)C)C2.
What is the InChIKey of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one?
The InChIKey is YQCROKXMNDLLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NOSi/c1-16-13-7-8-14(16)11-12(10-13)15(17)6-5-9-18(2,3)4/h12-14H,6-8,10-11H2,1-4H3.
What are the key properties of 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one?
1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one has a molecular weight of 263.46 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-trimethylsilylbut-3-yn-1-one is sourced from PubChem (CID 171950108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).