2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one

C20H27F3N2O3Si — CID 123829342

About 2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one

2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one (PubChem CID 123829342) has the molecular formula C20H27F3N2O3Si and a molecular weight of 428.53 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one
• PubChem CID: 123829342
• Molecular Formula: C20H27F3N2O3Si
• Molecular Weight: 428.53 g/mol
• Exact Mass: 428.17
• IUPAC Name: 2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one
• SMILES: C=CCOC1=C(C)C(=O)N(c2cc(C(F)(F)F)ccn2)C1O[Si](C)(C)C(C)(C)C
• InChI: InChI=1S/C20H27F3N2O3Si/c1-8-11-27-16-13(2)17(26)25(18(16)28-29(6,7)19(3,4)5)15-12-14(9-10-24-15)20(21,22)23/h8-10,12,18H,1,11H2,2-7H3
• InChIKey: VHMPNCDOPMZOKM-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 51.66 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	428.53
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one?

The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one (CID 123829342) is 2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one.

What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one?

The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one is C=CCOC1=C(C)C(=O)N(c2cc(C(F)(F)F)ccn2)C1O[Si](C)(C)C(C)(C)C.

What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one?

The InChIKey is VHMPNCDOPMZOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F3N2O3Si/c1-8-11-27-16-13(2)17(26)25(18(16)28-29(6,7)19(3,4)5)15-12-14(9-10-24-15)20(21,22)23/h8-10,12,18H,1,11H2,2-7H3.

What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one?

2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one has a molecular weight of 428.53 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[tert-butyl(dimethyl)silyl]oxy-4-methyl-3-prop-2-enoxy-1-[4-(trifluoromethyl)-2-pyridinyl]-2H-pyrrol-5-one is sourced from PubChem (CID 123829342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).