4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one

C21H33NO3Si — CID 68943315

IUPAC4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESC=CC1C(O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C21H33NO3Si/c1-9-19-20(25-26(14(2)3,15(4)5)16(6)7)21(23)22(19)17-10-12-18(24-8)13-11-17/h9-16,19-20H,1H2,2-8H3
InChIKeyFNPJWRDAVAZUIP-UHFFFAOYSA-N
MW375.59 g/mol
LogP5.16
Rot. Bonds8

About 4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one

4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (PubChem CID 68943315) has the molecular formula C21H33NO3Si and a molecular weight of 375.59 g/mol. Its IUPAC name is 4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
PubChem CID68943315
Molecular FormulaC21H33NO3Si
Molecular Weight375.59 g/mol
Exact Mass375.22
IUPAC Name4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one
SMILESC=CC1C(O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N1c1ccc(OC)cc1
InChIInChI=1S/C21H33NO3Si/c1-9-19-20(25-26(14(2)3,15(4)5)16(6)7)21(23)22(19)17-10-12-18(24-8)13-11-17/h9-16,19-20H,1H2,2-8H3
InChIKeyFNPJWRDAVAZUIP-UHFFFAOYSA-N
XLogP5.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.59
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The IUPAC name of 4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one (CID 68943315) is 4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The canonical SMILES for 4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is C=CC1C(O[Si](C(C)C)(C(C)C)C(C)C)C(=O)N1c1ccc(OC)cc1.
What is the InChIKey of 4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
The InChIKey is FNPJWRDAVAZUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33NO3Si/c1-9-19-20(25-26(14(2)3,15(4)5)16(6)7)21(23)22(19)17-10-12-18(24-8)13-11-17/h9-16,19-20H,1H2,2-8H3.
What are the key properties of 4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one?
4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one has a molecular weight of 375.59 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(4-methoxyphenyl)-3-tri(propan-2-yl)silyloxyazetidin-2-one is sourced from PubChem (CID 68943315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).