2-(4-acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile

C15H22N2O2Si — CID 134926432

IUPAC2-(4-acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile
SMILESCC(=O)c1ccc(C(C#N)(O[Si](C)(C)C)N(C)C)cc1
InChIInChI=1S/C15H22N2O2Si/c1-12(18)13-7-9-14(10-8-13)15(11-16,17(2)3)19-20(4,5)6/h7-10H,1-6H3
InChIKeyFGOGBQNJCJZONY-UHFFFAOYSA-N
MW290.44 g/mol
LogP2.98
Rot. Bonds5

About 2-(4-acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile

2-(4-acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile (PubChem CID 134926432) has the molecular formula C15H22N2O2Si and a molecular weight of 290.44 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile.

Molecular Properties

Compound Name2-(4-acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile
PubChem CID134926432
Molecular FormulaC15H22N2O2Si
Molecular Weight290.44 g/mol
Exact Mass290.15
IUPAC Name2-(4-acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile
SMILESCC(=O)c1ccc(C(C#N)(O[Si](C)(C)C)N(C)C)cc1
InChIInChI=1S/C15H22N2O2Si/c1-12(18)13-7-9-14(10-8-13)15(11-16,17(2)3)19-20(4,5)6/h7-10H,1-6H3
InChIKeyFGOGBQNJCJZONY-UHFFFAOYSA-N
XLogP2.98
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.44
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile?
The IUPAC name of 2-(4-acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile (CID 134926432) is 2-(4-acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile.
What is the SMILES notation for 2-(4-acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile?
The canonical SMILES for 2-(4-acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile is CC(=O)c1ccc(C(C#N)(O[Si](C)(C)C)N(C)C)cc1.
What is the InChIKey of 2-(4-acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile?
The InChIKey is FGOGBQNJCJZONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2Si/c1-12(18)13-7-9-14(10-8-13)15(11-16,17(2)3)19-20(4,5)6/h7-10H,1-6H3.
What are the key properties of 2-(4-acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile?
2-(4-acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile has a molecular weight of 290.44 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylphenyl)-2-(dimethylamino)-2-trimethylsilyloxyacetonitrile is sourced from PubChem (CID 134926432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).