1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one

C13H23N3O2Si — CID 140707646

IUPAC1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one
SMILESCCC1C(=O)N([Si](C)(C)C(C)(C)C)C1C(=O)C=[N+]=[N-]
InChIInChI=1S/C13H23N3O2Si/c1-7-9-11(10(17)8-15-14)16(12(9)18)19(5,6)13(2,3)4/h8-9,11H,7H2,1-6H3
InChIKeyWILNVEQRYBBHEA-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.10
Rot. Bonds4

About 1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one

1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one (PubChem CID 140707646) has the molecular formula C13H23N3O2Si and a molecular weight of 281.43 g/mol. Its IUPAC name is 1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one.

Molecular Properties

Compound Name1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one
PubChem CID140707646
Molecular FormulaC13H23N3O2Si
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one
SMILESCCC1C(=O)N([Si](C)(C)C(C)(C)C)C1C(=O)C=[N+]=[N-]
InChIInChI=1S/C13H23N3O2Si/c1-7-9-11(10(17)8-15-14)16(12(9)18)19(5,6)13(2,3)4/h8-9,11H,7H2,1-6H3
InChIKeyWILNVEQRYBBHEA-UHFFFAOYSA-N
XLogP2.10
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one?
The IUPAC name of 1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one (CID 140707646) is 1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one.
What is the SMILES notation for 1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one?
The canonical SMILES for 1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one is CCC1C(=O)N([Si](C)(C)C(C)(C)C)C1C(=O)C=[N+]=[N-].
What is the InChIKey of 1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one?
The InChIKey is WILNVEQRYBBHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2Si/c1-7-9-11(10(17)8-15-14)16(12(9)18)19(5,6)13(2,3)4/h8-9,11H,7H2,1-6H3.
What are the key properties of 1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one?
1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one has a molecular weight of 281.43 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[tert-butyl(dimethyl)silyl]-4-(2-diazoacetyl)-3-ethylazetidin-2-one is sourced from PubChem (CID 140707646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).