(3S)-1-tert-butyl-3-dimethylsilyl-3-ethynylazetidin-2-one

C11H19NOSi — CID 150032005

IUPAC(3S)-1-tert-butyl-3-dimethylsilyl-3-ethynylazetidin-2-one
SMILESC#C[C@]1([SiH](C)C)CN(C(C)(C)C)C1=O
InChIInChI=1S/C11H19NOSi/c1-7-11(14(5)6)8-12(9(11)13)10(2,3)4/h1,14H,8H2,2-6H3/t11-/m0/s1
InChIKeyDHLQWMPLEKKKOP-NSHDSACASA-N
MW209.36 g/mol
LogP1.49
Rot. Bonds1

About (3S)-1-tert-butyl-3-dimethylsilyl-3-ethynylazetidin-2-one

(3S)-1-tert-butyl-3-dimethylsilyl-3-ethynylazetidin-2-one (PubChem CID 150032005) has the molecular formula C11H19NOSi and a molecular weight of 209.36 g/mol. Its IUPAC name is (3S)-1-tert-butyl-3-dimethylsilyl-3-ethynylazetidin-2-one.

Molecular Properties

Compound Name(3S)-1-tert-butyl-3-dimethylsilyl-3-ethynylazetidin-2-one
PubChem CID150032005
Molecular FormulaC11H19NOSi
Molecular Weight209.36 g/mol
Exact Mass209.12
IUPAC Name(3S)-1-tert-butyl-3-dimethylsilyl-3-ethynylazetidin-2-one
SMILESC#C[C@]1([SiH](C)C)CN(C(C)(C)C)C1=O
InChIInChI=1S/C11H19NOSi/c1-7-11(14(5)6)8-12(9(11)13)10(2,3)4/h1,14H,8H2,2-6H3/t11-/m0/s1
InChIKeyDHLQWMPLEKKKOP-NSHDSACASA-N
XLogP1.49
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.36
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-3-dimethylsilyl-3-ethynylazetidin-2-one?
The IUPAC name of (3S)-1-tert-butyl-3-dimethylsilyl-3-ethynylazetidin-2-one (CID 150032005) is (3S)-1-tert-butyl-3-dimethylsilyl-3-ethynylazetidin-2-one.
What is the SMILES notation for (3S)-1-tert-butyl-3-dimethylsilyl-3-ethynylazetidin-2-one?
The canonical SMILES for (3S)-1-tert-butyl-3-dimethylsilyl-3-ethynylazetidin-2-one is C#C[C@]1([SiH](C)C)CN(C(C)(C)C)C1=O.
What is the InChIKey of (3S)-1-tert-butyl-3-dimethylsilyl-3-ethynylazetidin-2-one?
The InChIKey is DHLQWMPLEKKKOP-NSHDSACASA-N. The full InChI is InChI=1S/C11H19NOSi/c1-7-11(14(5)6)8-12(9(11)13)10(2,3)4/h1,14H,8H2,2-6H3/t11-/m0/s1.
What are the key properties of (3S)-1-tert-butyl-3-dimethylsilyl-3-ethynylazetidin-2-one?
(3S)-1-tert-butyl-3-dimethylsilyl-3-ethynylazetidin-2-one has a molecular weight of 209.36 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-3-dimethylsilyl-3-ethynylazetidin-2-one is sourced from PubChem (CID 150032005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).