(3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one

C15H23NOSi — CID 10106740

IUPAC(3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one
SMILESCC[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C15H23NOSi/c1-5-13-14(17)16(15(13)18(2,3)4)11-12-9-7-6-8-10-12/h6-10,13,15H,5,11H2,1-4H3/t13-,15+/m0/s1
InChIKeyZLMGHRIMZFZMNA-DZGCQCFKSA-N
MW261.44 g/mol
LogP3.30
Rot. Bonds4

About (3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one

(3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one (PubChem CID 10106740) has the molecular formula C15H23NOSi and a molecular weight of 261.44 g/mol. Its IUPAC name is (3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one.

Molecular Properties

Compound Name(3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one
PubChem CID10106740
Molecular FormulaC15H23NOSi
Molecular Weight261.44 g/mol
Exact Mass261.15
IUPAC Name(3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one
SMILESCC[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1[Si](C)(C)C
InChIInChI=1S/C15H23NOSi/c1-5-13-14(17)16(15(13)18(2,3)4)11-12-9-7-6-8-10-12/h6-10,13,15H,5,11H2,1-4H3/t13-,15+/m0/s1
InChIKeyZLMGHRIMZFZMNA-DZGCQCFKSA-N
XLogP3.30
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one?
The IUPAC name of (3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one (CID 10106740) is (3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one.
What is the SMILES notation for (3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one?
The canonical SMILES for (3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one is CC[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1[Si](C)(C)C.
What is the InChIKey of (3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one?
The InChIKey is ZLMGHRIMZFZMNA-DZGCQCFKSA-N. The full InChI is InChI=1S/C15H23NOSi/c1-5-13-14(17)16(15(13)18(2,3)4)11-12-9-7-6-8-10-12/h6-10,13,15H,5,11H2,1-4H3/t13-,15+/m0/s1.
What are the key properties of (3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one?
(3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one has a molecular weight of 261.44 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-1-benzyl-3-ethyl-4-trimethylsilylazetidin-2-one is sourced from PubChem (CID 10106740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).