N-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide

C9H15NOSi — CID 135086683

IUPACN-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide
SMILESC=C(C#C[Si](C)(C)C)NC(C)=O
InChIInChI=1S/C9H15NOSi/c1-8(10-9(2)11)6-7-12(3,4)5/h1H2,2-5H3,(H,10,11)
InChIKeyYKAYMYZUOHTEFT-UHFFFAOYSA-N
MW181.31 g/mol
LogP1.52
Rot. Bonds1

About N-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide

N-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide (PubChem CID 135086683) has the molecular formula C9H15NOSi and a molecular weight of 181.31 g/mol. Its IUPAC name is N-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide
PubChem CID135086683
Molecular FormulaC9H15NOSi
Molecular Weight181.31 g/mol
Exact Mass181.09
IUPAC NameN-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide
SMILESC=C(C#C[Si](C)(C)C)NC(C)=O
InChIInChI=1S/C9H15NOSi/c1-8(10-9(2)11)6-7-12(3,4)5/h1H2,2-5H3,(H,10,11)
InChIKeyYKAYMYZUOHTEFT-UHFFFAOYSA-N
XLogP1.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.31
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide?
The IUPAC name of N-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide (CID 135086683) is N-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide.
What is the SMILES notation for N-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide?
The canonical SMILES for N-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide is C=C(C#C[Si](C)(C)C)NC(C)=O.
What is the InChIKey of N-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide?
The InChIKey is YKAYMYZUOHTEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NOSi/c1-8(10-9(2)11)6-7-12(3,4)5/h1H2,2-5H3,(H,10,11).
What are the key properties of N-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide?
N-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide has a molecular weight of 181.31 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-trimethylsilylbut-1-en-3-yn-2-yl)acetamide is sourced from PubChem (CID 135086683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).