1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one

C14H25NO3Si — CID 173431753

IUPAC1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one
SMILESC=CCC1N(C(C)(C)C)C(=O)C1(C(=O)CO)[SiH](C)C
InChIInChI=1S/C14H25NO3Si/c1-7-8-10-14(19(5)6,11(17)9-16)12(18)15(10)13(2,3)4/h7,10,16,19H,1,8-9H2,2-6H3
InChIKeyJSRPFEXRMZDPCD-UHFFFAOYSA-N
MW283.44 g/mol
LogP1.36
Rot. Bonds5

About 1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one

1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one (PubChem CID 173431753) has the molecular formula C14H25NO3Si and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one
PubChem CID173431753
Molecular FormulaC14H25NO3Si
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one
SMILESC=CCC1N(C(C)(C)C)C(=O)C1(C(=O)CO)[SiH](C)C
InChIInChI=1S/C14H25NO3Si/c1-7-8-10-14(19(5)6,11(17)9-16)12(18)15(10)13(2,3)4/h7,10,16,19H,1,8-9H2,2-6H3
InChIKeyJSRPFEXRMZDPCD-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one?
The IUPAC name of 1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one (CID 173431753) is 1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one.
What is the SMILES notation for 1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one?
The canonical SMILES for 1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one is C=CCC1N(C(C)(C)C)C(=O)C1(C(=O)CO)[SiH](C)C.
What is the InChIKey of 1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one?
The InChIKey is JSRPFEXRMZDPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3Si/c1-7-8-10-14(19(5)6,11(17)9-16)12(18)15(10)13(2,3)4/h7,10,16,19H,1,8-9H2,2-6H3.
What are the key properties of 1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one?
1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one has a molecular weight of 283.44 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-dimethylsilyl-3-(2-hydroxyacetyl)-4-prop-2-enylazetidin-2-one is sourced from PubChem (CID 173431753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).