2-propan-2-yl-1-[(E)-3-trimethylsilylprop-2-enyl]-2,3-dihydropyridin-4-one

C14H25NOSi — CID 102511725

IUPAC2-propan-2-yl-1-[(E)-3-trimethylsilylprop-2-enyl]-2,3-dihydropyridin-4-one
SMILESCC(C)C1CC(=O)C=CN1C/C=C/[Si](C)(C)C
InChIInChI=1S/C14H25NOSi/c1-12(2)14-11-13(16)7-9-15(14)8-6-10-17(3,4)5/h6-7,9-10,12,14H,8,11H2,1-5H3/b10-6+
InChIKeyOETORARQPXEIFO-UXBLZVDNSA-N
MW251.45 g/mol
LogP3.23
Rot. Bonds4

About 2-propan-2-yl-1-[(E)-3-trimethylsilylprop-2-enyl]-2,3-dihydropyridin-4-one

2-propan-2-yl-1-[(E)-3-trimethylsilylprop-2-enyl]-2,3-dihydropyridin-4-one (PubChem CID 102511725) has the molecular formula C14H25NOSi and a molecular weight of 251.45 g/mol. Its IUPAC name is 2-propan-2-yl-1-[(E)-3-trimethylsilylprop-2-enyl]-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name2-propan-2-yl-1-[(E)-3-trimethylsilylprop-2-enyl]-2,3-dihydropyridin-4-one
PubChem CID102511725
Molecular FormulaC14H25NOSi
Molecular Weight251.45 g/mol
Exact Mass251.17
IUPAC Name2-propan-2-yl-1-[(E)-3-trimethylsilylprop-2-enyl]-2,3-dihydropyridin-4-one
SMILESCC(C)C1CC(=O)C=CN1C/C=C/[Si](C)(C)C
InChIInChI=1S/C14H25NOSi/c1-12(2)14-11-13(16)7-9-15(14)8-6-10-17(3,4)5/h6-7,9-10,12,14H,8,11H2,1-5H3/b10-6+
InChIKeyOETORARQPXEIFO-UXBLZVDNSA-N
XLogP3.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.45
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1-[(E)-3-trimethylsilylprop-2-enyl]-2,3-dihydropyridin-4-one?
The IUPAC name of 2-propan-2-yl-1-[(E)-3-trimethylsilylprop-2-enyl]-2,3-dihydropyridin-4-one (CID 102511725) is 2-propan-2-yl-1-[(E)-3-trimethylsilylprop-2-enyl]-2,3-dihydropyridin-4-one.
What is the SMILES notation for 2-propan-2-yl-1-[(E)-3-trimethylsilylprop-2-enyl]-2,3-dihydropyridin-4-one?
The canonical SMILES for 2-propan-2-yl-1-[(E)-3-trimethylsilylprop-2-enyl]-2,3-dihydropyridin-4-one is CC(C)C1CC(=O)C=CN1C/C=C/[Si](C)(C)C.
What is the InChIKey of 2-propan-2-yl-1-[(E)-3-trimethylsilylprop-2-enyl]-2,3-dihydropyridin-4-one?
The InChIKey is OETORARQPXEIFO-UXBLZVDNSA-N. The full InChI is InChI=1S/C14H25NOSi/c1-12(2)14-11-13(16)7-9-15(14)8-6-10-17(3,4)5/h6-7,9-10,12,14H,8,11H2,1-5H3/b10-6+.
What are the key properties of 2-propan-2-yl-1-[(E)-3-trimethylsilylprop-2-enyl]-2,3-dihydropyridin-4-one?
2-propan-2-yl-1-[(E)-3-trimethylsilylprop-2-enyl]-2,3-dihydropyridin-4-one has a molecular weight of 251.45 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1-[(E)-3-trimethylsilylprop-2-enyl]-2,3-dihydropyridin-4-one is sourced from PubChem (CID 102511725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).