(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one

C24H33NO3Si — CID 53254447

About (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one (PubChem CID 53254447) has the molecular formula C24H33NO3Si and a molecular weight of 411.62 g/mol. Its IUPAC name is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one.

Molecular Properties

• Compound Name: (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one
• PubChem CID: 53254447
• Molecular Formula: C24H33NO3Si
• Molecular Weight: 411.62 g/mol
• Exact Mass: 411.22
• IUPAC Name: (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one
• SMILES: C=C(CC)C(=O)N1C=CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/c1ccccc1
• InChI: InChI=1S/C24H33NO3Si/c1-8-18(2)23(27)25-17-16-21(26)22(28-29(6,7)24(3,4)5)20(25)15-14-19-12-10-9-11-13-19/h9-17,20,22H,2,8H2,1,3-7H3/b15-14+/t20-,22+/m1/s1
• InChIKey: PIOROOOCDFVASG-HBXUSSAYSA-N
• XLogP: 5.35
• TPSA: 46.61 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.62
LogP ≤ 5	5.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one?

The IUPAC name of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one (CID 53254447) is (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one.

What is the SMILES notation for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one?

The canonical SMILES for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one is C=C(CC)C(=O)N1C=CC(=O)[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1/C=C/c1ccccc1.

What is the InChIKey of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one?

The InChIKey is PIOROOOCDFVASG-HBXUSSAYSA-N. The full InChI is InChI=1S/C24H33NO3Si/c1-8-18(2)23(27)25-17-16-21(26)22(28-29(6,7)24(3,4)5)20(25)15-14-19-12-10-9-11-13-19/h9-17,20,22H,2,8H2,1,3-7H3/b15-14+/t20-,22+/m1/s1.

What are the key properties of (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one?

(2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one has a molecular weight of 411.62 g/mol, XLogP of 5.35, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-(2-methylidenebutanoyl)-2-[(E)-2-phenylethenyl]-2,3-dihydropyridin-4-one is sourced from PubChem (CID 53254447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).