trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane

C15H17NSi — CID 101176241

IUPACtrimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane
SMILESC[Si](C)(C)C#C[C@H]1N[C@@H]1C#Cc1ccccc1
InChIInChI=1S/C15H17NSi/c1-17(2,3)12-11-15-14(16-15)10-9-13-7-5-4-6-8-13/h4-8,14-16H,1-3H3/t14-,15-/m1/s1
InChIKeyKBZUHTCSHQJMAJ-HUUCEWRRSA-N
MW239.39 g/mol
LogP2.26
Rot. Bonds

About trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane

trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane (PubChem CID 101176241) has the molecular formula C15H17NSi and a molecular weight of 239.39 g/mol. Its IUPAC name is trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane
PubChem CID101176241
Molecular FormulaC15H17NSi
Molecular Weight239.39 g/mol
Exact Mass239.11
IUPAC Nametrimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane
SMILESC[Si](C)(C)C#C[C@H]1N[C@@H]1C#Cc1ccccc1
InChIInChI=1S/C15H17NSi/c1-17(2,3)12-11-15-14(16-15)10-9-13-7-5-4-6-8-13/h4-8,14-16H,1-3H3/t14-,15-/m1/s1
InChIKeyKBZUHTCSHQJMAJ-HUUCEWRRSA-N
XLogP2.26
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane?
The IUPAC name of trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane (CID 101176241) is trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane.
What is the SMILES notation for trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane?
The canonical SMILES for trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane is C[Si](C)(C)C#C[C@H]1N[C@@H]1C#Cc1ccccc1.
What is the InChIKey of trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane?
The InChIKey is KBZUHTCSHQJMAJ-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H17NSi/c1-17(2,3)12-11-15-14(16-15)10-9-13-7-5-4-6-8-13/h4-8,14-16H,1-3H3/t14-,15-/m1/s1.
What are the key properties of trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane?
trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane has a molecular weight of 239.39 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[(2R,3R)-3-(2-phenylethynyl)aziridin-2-yl]ethynyl]silane is sourced from PubChem (CID 101176241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).