(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-5-prop-2-enylpyrrolidin-2-one

C21H33NO2Si — CID 101212303

About (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-5-prop-2-enylpyrrolidin-2-one

(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-5-prop-2-enylpyrrolidin-2-one (PubChem CID 101212303) has the molecular formula C21H33NO2Si and a molecular weight of 359.59 g/mol. Its IUPAC name is (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-5-prop-2-enylpyrrolidin-2-one.

Molecular Properties

• Compound Name: (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-5-prop-2-enylpyrrolidin-2-one
• PubChem CID: 101212303
• Molecular Formula: C21H33NO2Si
• Molecular Weight: 359.59 g/mol
• Exact Mass: 359.23
• IUPAC Name: (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-5-prop-2-enylpyrrolidin-2-one
• SMILES: C=CC[C@]1(C)C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1
• InChI: InChI=1S/C21H33NO2Si/c1-8-14-21(5)15-18(24-25(6,7)20(2,3)4)19(23)22(21)16-17-12-10-9-11-13-17/h8-13,18H,1,14-16H2,2-7H3/t18-,21+/m0/s1
• InChIKey: VAMWOEZDUJGTFG-GHTZIAJQSA-N
• XLogP: 5.14
• TPSA: 29.54 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	359.59
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-5-prop-2-enylpyrrolidin-2-one?

The IUPAC name of (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-5-prop-2-enylpyrrolidin-2-one (CID 101212303) is (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-5-prop-2-enylpyrrolidin-2-one.

What is the SMILES notation for (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-5-prop-2-enylpyrrolidin-2-one?

The canonical SMILES for (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-5-prop-2-enylpyrrolidin-2-one is C=CC[C@]1(C)C[C@H](O[Si](C)(C)C(C)(C)C)C(=O)N1Cc1ccccc1.

What is the InChIKey of (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-5-prop-2-enylpyrrolidin-2-one?

The InChIKey is VAMWOEZDUJGTFG-GHTZIAJQSA-N. The full InChI is InChI=1S/C21H33NO2Si/c1-8-14-21(5)15-18(24-25(6,7)20(2,3)4)19(23)22(21)16-17-12-10-9-11-13-17/h8-13,18H,1,14-16H2,2-7H3/t18-,21+/m0/s1.

What are the key properties of (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-5-prop-2-enylpyrrolidin-2-one?

(3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-5-prop-2-enylpyrrolidin-2-one has a molecular weight of 359.59 g/mol, XLogP of 5.14, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (3S,5R)-1-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-5-methyl-5-prop-2-enylpyrrolidin-2-one is sourced from PubChem (CID 101212303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).