3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium

C24H24NOSi+ — CID 134873528

IUPAC3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium
SMILESC[Si](C)(C)[N+]#CC(C(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24NOSi/c1-27(2,3)25-19-24(21-15-9-5-10-16-21,22-17-11-6-12-18-22)23(26)20-13-7-4-8-14-20/h4-18H,1-3H3/q+1
InChIKeyDECFNSVGNRDYJG-UHFFFAOYSA-N
MW370.55 g/mol
LogP6.02
Rot. Bonds4

About 3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium

3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium (PubChem CID 134873528) has the molecular formula C24H24NOSi+ and a molecular weight of 370.55 g/mol. Its IUPAC name is 3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium.

Molecular Properties

Compound Name3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium
PubChem CID134873528
Molecular FormulaC24H24NOSi+
Molecular Weight370.55 g/mol
Exact Mass370.16
IUPAC Name3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium
SMILESC[Si](C)(C)[N+]#CC(C(=O)c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H24NOSi/c1-27(2,3)25-19-24(21-15-9-5-10-16-21,22-17-11-6-12-18-22)23(26)20-13-7-4-8-14-20/h4-18H,1-3H3/q+1
InChIKeyDECFNSVGNRDYJG-UHFFFAOYSA-N
XLogP6.02
TPSA21.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.55
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-oxo-2,3-diphenylpropanenitrile
CID 87277841
2-chloro-1,2,2-triphenylethanone
CID 11301235
N-(1-acetamido-2-oxo-1,2-diphenylethyl)acetamide
CID 134105964
ethane;2,2,2-tribromo-1-phenylethanone
CID 159508588
2-ethyl-1,2-diphenylbutan-1-one
CID 21330983
2-(4-methylphenyl)-1,2,2-triphenylethanone
CID 122207100
2-hydroxy-2-methyl-1-phenylpropan-1-one;sulfane
CID 70599278
(2S)-3-bromo-2-methyl-1,2-diphenylpropan-1-one
CID 139043134
2-hydroxy-1,2-diphenyl-2-pyridin-4-ylethanone
CID 67444545
2-(1-fluoroethyl)-1,2,3-triphenylpropane-1,3-dione
CID 175526561
2,2-dimethoxy-1,2-diphenylethanone;molecular iodine
CID 161260552
(2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone
CID 102359954

Frequently Asked Questions

What is the IUPAC name of 3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium?
The IUPAC name of 3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium (CID 134873528) is 3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium.
What is the SMILES notation for 3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium?
The canonical SMILES for 3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium is C[Si](C)(C)[N+]#CC(C(=O)c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium?
The InChIKey is DECFNSVGNRDYJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24NOSi/c1-27(2,3)25-19-24(21-15-9-5-10-16-21,22-17-11-6-12-18-22)23(26)20-13-7-4-8-14-20/h4-18H,1-3H3/q+1.
What are the key properties of 3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium?
3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium has a molecular weight of 370.55 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-2,2,3-triphenyl-N-trimethylsilylpropanenitrilium is sourced from PubChem (CID 134873528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).