8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone

C17H25NOSi — CID 171941310

IUPAC8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone
SMILESC[Si](C)(C)c1ccc(C(=O)C2CC3CCC(C2)N3)cc1
InChIInChI=1S/C17H25NOSi/c1-20(2,3)16-8-4-12(5-9-16)17(19)13-10-14-6-7-15(11-13)18-14/h4-5,8-9,13-15,18H,6-7,10-11H2,1-3H3
InChIKeyIHDBPEOZIUWWTC-UHFFFAOYSA-N
MW287.48 g/mol
LogP2.95
Rot. Bonds3

About 8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone

8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone (PubChem CID 171941310) has the molecular formula C17H25NOSi and a molecular weight of 287.48 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone
PubChem CID171941310
Molecular FormulaC17H25NOSi
Molecular Weight287.48 g/mol
Exact Mass287.17
IUPAC Name8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone
SMILESC[Si](C)(C)c1ccc(C(=O)C2CC3CCC(C2)N3)cc1
InChIInChI=1S/C17H25NOSi/c1-20(2,3)16-8-4-12(5-9-16)17(19)13-10-14-6-7-15(11-13)18-14/h4-5,8-9,13-15,18H,6-7,10-11H2,1-3H3
InChIKeyIHDBPEOZIUWWTC-UHFFFAOYSA-N
XLogP2.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.48
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

8-azabicyclo[3.2.1]octan-3-yl-[4-(dimethylamino)phenyl]methanone
CID 171946208
9-azabicyclo[3.3.1]nonan-3-yl-(4-ethylphenyl)methanone
CID 171944685
8-azabicyclo[3.2.1]octan-3-yl-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methanone
CID 171939597
8-azabicyclo[3.2.1]octan-3-yl-(3,5-dimethylphenyl)methanone
CID 171944750
8-azabicyclo[3.2.1]octan-3-yl-[3-methoxy-4-(trifluoromethyl)phenyl]methanone
CID 171942745
9-azabicyclo[3.3.1]nonan-3-yl(2,1,3-benzoxadiazol-5-yl)methanone
CID 171945695
4-(8-azabicyclo[3.2.1]octane-3-carbonyl)-2-methoxybenzonitrile
CID 171939722
9-azabicyclo[3.3.1]nonan-3-yl-[4-(1,1,2,2,2-pentafluoroethoxy)phenyl]methanone
CID 171939607
8-azabicyclo[3.2.1]octan-3-yl-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 171939449
2-(8-azabicyclo[3.2.1]octane-3-carbonyl)pyridine-3-carbonitrile
CID 171944017
9-azabicyclo[3.3.1]nonan-3-yl-[2-(dimethylamino)pyrimidin-5-yl]methanone
CID 171946068
tert-butyl 7-(4-trimethylsilylbenzoyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171941333

Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone (CID 171941310) is 8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone is C[Si](C)(C)c1ccc(C(=O)C2CC3CCC(C2)N3)cc1.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone?
The InChIKey is IHDBPEOZIUWWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NOSi/c1-20(2,3)16-8-4-12(5-9-16)17(19)13-10-14-6-7-15(11-13)18-14/h4-5,8-9,13-15,18H,6-7,10-11H2,1-3H3.
What are the key properties of 8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone?
8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone has a molecular weight of 287.48 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-yl-(4-trimethylsilylphenyl)methanone is sourced from PubChem (CID 171941310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).