(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one

C15H23NOSi — CID 10682860

IUPAC(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one
SMILESC#CC[C@@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]1CC#C
InChIInChI=1S/C15H23NOSi/c1-8-10-12-13(11-9-2)16(14(12)17)18(6,7)15(3,4)5/h1-2,12-13H,10-11H2,3-7H3/t12-,13-/m0/s1
InChIKeyPGKSMFVEZLREFI-STQMWFEESA-N
MW261.44 g/mol
LogP2.87
Rot. Bonds3

About (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one

(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one (PubChem CID 10682860) has the molecular formula C15H23NOSi and a molecular weight of 261.44 g/mol. Its IUPAC name is (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one.

Molecular Properties

Compound Name(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one
PubChem CID10682860
Molecular FormulaC15H23NOSi
Molecular Weight261.44 g/mol
Exact Mass261.15
IUPAC Name(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one
SMILESC#CC[C@@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]1CC#C
InChIInChI=1S/C15H23NOSi/c1-8-10-12-13(11-9-2)16(14(12)17)18(6,7)15(3,4)5/h1-2,12-13H,10-11H2,3-7H3/t12-,13-/m0/s1
InChIKeyPGKSMFVEZLREFI-STQMWFEESA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 52.87
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,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one?
The IUPAC name of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one (CID 10682860) is (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one.
What is the SMILES notation for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one?
The canonical SMILES for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one is C#CC[C@@H]1C(=O)N([Si](C)(C)C(C)(C)C)[C@H]1CC#C.
What is the InChIKey of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one?
The InChIKey is PGKSMFVEZLREFI-STQMWFEESA-N. The full InChI is InChI=1S/C15H23NOSi/c1-8-10-12-13(11-9-2)16(14(12)17)18(6,7)15(3,4)5/h1-2,12-13H,10-11H2,3-7H3/t12-,13-/m0/s1.
What are the key properties of (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one?
(3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one has a molecular weight of 261.44 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[tert-butyl(dimethyl)silyl]-3,4-bis(prop-2-ynyl)azetidin-2-one is sourced from PubChem (CID 10682860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).