3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one

C13H27NO2Si — CID 69203284

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one
SMILESCN1CC(C)(C)C(O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C13H27NO2Si/c1-12(2,3)17(7,8)16-10-11(15)14(6)9-13(10,4)5/h10H,9H2,1-8H3
InChIKeyKFNSDLSRQNCPFE-UHFFFAOYSA-N
MW257.45 g/mol
LogP2.88
Rot. Bonds2

About 3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one

3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one (PubChem CID 69203284) has the molecular formula C13H27NO2Si and a molecular weight of 257.45 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one
PubChem CID69203284
Molecular FormulaC13H27NO2Si
Molecular Weight257.45 g/mol
Exact Mass257.18
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one
SMILESCN1CC(C)(C)C(O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C13H27NO2Si/c1-12(2,3)17(7,8)16-10-11(15)14(6)9-13(10,4)5/h10H,9H2,1-8H3
InChIKeyKFNSDLSRQNCPFE-UHFFFAOYSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylpyrrolidine-2,5-dione
CID 10981612
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one
CID 91297949
(4R,6aR)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-1,4,6,6a-tetrahydropentalen-2-one
CID 101079024
tert-butyl-(5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl)oxy-dimethylsilane
CID 102246926
(3S)-3-hydroxy-1,4,4-trimethylpyrrolidin-2-one
CID 129391869
(4R,6aS)-4-[tert-butyl(dimethyl)silyl]oxy-5,5-dimethyl-3-trimethylgermyl-1,4,6,6a-tetrahydropentalen-2-one
CID 12013189
4-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,4-dimethylpyrrolidin-2-one
CID 153401170
tert-butyl-[(5,5-dimethyl-6,7-dihydro-4H-1-benzothiophen-4-yl)oxy]-dimethylsilane
CID 59889233
3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one
CID 171088967
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-(3-iodopropyl)pyrrolidine-2,5-dione
CID 10815976
[(3aR,4R,7aS)-1,2,3a,7,7,7a-hexamethyl-3,4,5,6-tetrahydroinden-4-yl]oxy-tert-butyl-dimethylsilane
CID 15459977
(1S,3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethylbicyclo[2.2.2]octan-2-one
CID 124605260

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one (CID 69203284) is 3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one is CN1CC(C)(C)C(O[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one?
The InChIKey is KFNSDLSRQNCPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2Si/c1-12(2,3)17(7,8)16-10-11(15)14(6)9-13(10,4)5/h10H,9H2,1-8H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one?
3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one has a molecular weight of 257.45 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one is sourced from PubChem (CID 69203284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).