1-propan-2-yl-5-(2-trimethylsilylethynyl)pyridin-2-one

C13H19NOSi — CID 171440011

IUPAC1-propan-2-yl-5-(2-trimethylsilylethynyl)pyridin-2-one
SMILESCC(C)n1cc(C#C[Si](C)(C)C)ccc1=O
InChIInChI=1S/C13H19NOSi/c1-11(2)14-10-12(6-7-13(14)15)8-9-16(3,4)5/h6-7,10-11H,1-5H3
InChIKeyZBYMPLVBADBNAO-UHFFFAOYSA-N
MW233.39 g/mol
LogP2.66
Rot. Bonds1

About 1-propan-2-yl-5-(2-trimethylsilylethynyl)pyridin-2-one

1-propan-2-yl-5-(2-trimethylsilylethynyl)pyridin-2-one (PubChem CID 171440011) has the molecular formula C13H19NOSi and a molecular weight of 233.39 g/mol. Its IUPAC name is 1-propan-2-yl-5-(2-trimethylsilylethynyl)pyridin-2-one.

Molecular Properties

Compound Name1-propan-2-yl-5-(2-trimethylsilylethynyl)pyridin-2-one
PubChem CID171440011
Molecular FormulaC13H19NOSi
Molecular Weight233.39 g/mol
Exact Mass233.12
IUPAC Name1-propan-2-yl-5-(2-trimethylsilylethynyl)pyridin-2-one
SMILESCC(C)n1cc(C#C[Si](C)(C)C)ccc1=O
InChIInChI=1S/C13H19NOSi/c1-11(2)14-10-12(6-7-13(14)15)8-9-16(3,4)5/h6-7,10-11H,1-5H3
InChIKeyZBYMPLVBADBNAO-UHFFFAOYSA-N
XLogP2.66
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.39
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-propan-2-yl-5-(2-trimethylsilylethynyl)pyridin-2-one?
The IUPAC name of 1-propan-2-yl-5-(2-trimethylsilylethynyl)pyridin-2-one (CID 171440011) is 1-propan-2-yl-5-(2-trimethylsilylethynyl)pyridin-2-one.
What is the SMILES notation for 1-propan-2-yl-5-(2-trimethylsilylethynyl)pyridin-2-one?
The canonical SMILES for 1-propan-2-yl-5-(2-trimethylsilylethynyl)pyridin-2-one is CC(C)n1cc(C#C[Si](C)(C)C)ccc1=O.
What is the InChIKey of 1-propan-2-yl-5-(2-trimethylsilylethynyl)pyridin-2-one?
The InChIKey is ZBYMPLVBADBNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NOSi/c1-11(2)14-10-12(6-7-13(14)15)8-9-16(3,4)5/h6-7,10-11H,1-5H3.
What are the key properties of 1-propan-2-yl-5-(2-trimethylsilylethynyl)pyridin-2-one?
1-propan-2-yl-5-(2-trimethylsilylethynyl)pyridin-2-one has a molecular weight of 233.39 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-5-(2-trimethylsilylethynyl)pyridin-2-one is sourced from PubChem (CID 171440011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).