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

C12H25NO2Si — CID 91297949

IUPAC(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one
SMILESC[C@@H]1C(=O)N(C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NO2Si/c1-9-10(8-13(5)11(9)14)15-16(6,7)12(2,3)4/h9-10H,8H2,1-7H3/t9-,10+/m0/s1
InChIKeyQNYQREHOXOJKCE-VHSXEESVSA-N
MW243.42 g/mol
LogP2.48
Rot. Bonds2

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

(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one (PubChem CID 91297949) has the molecular formula C12H25NO2Si and a molecular weight of 243.42 g/mol. Its IUPAC name is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one
PubChem CID91297949
Molecular FormulaC12H25NO2Si
Molecular Weight243.42 g/mol
Exact Mass243.17
IUPAC Name(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one
SMILESC[C@@H]1C(=O)N(C)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C12H25NO2Si/c1-9-10(8-13(5)11(9)14)15-16(6,7)12(2,3)4/h9-10H,8H2,1-7H3/t9-,10+/m0/s1
InChIKeyQNYQREHOXOJKCE-VHSXEESVSA-N
XLogP2.48
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 52.48
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

3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylpyrrolidine-2,5-dione
CID 10981612
3-[tert-butyl(dimethyl)silyl]oxy-1,4,4-trimethylpyrrolidin-2-one
CID 69203284
(1S,2S,5S)-5-[tert-butyl(dimethyl)silyl]oxy-2-methyl-3-oxocyclopentane-1-carbaldehyde
CID 11149544
(2S,3S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidine-2-carboxylic acid
CID 67282800
methyl 2-[(3R,4S)-4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxy-2-oxopyrrolidin-1-yl]acetate
CID 23252616
3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one
CID 171088967
tert-butyl-[(1S,2S)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane;tert-butyl-[(1R,2R)-2-[tert-butyl(dimethyl)silyl]oxycyclohexyl]oxy-dimethylsilane
CID 158464609
(2S,3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 124639963
(1S,3S,4S,7S)-7-[tert-butyl(dimethyl)silyl]oxy-3,5,5-trimethylbicyclo[2.2.2]octan-2-one
CID 124605260
(1S,4S,5S,7aS)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methyl-1,4,5,6,7,7a-hexahydroinden-2-one
CID 10835419
(1R,4S,5S)-4-[tert-butyl(dimethyl)silyl]oxy-6,7-dimethylbicyclo[3.2.1]octan-2-one
CID 102300600

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one?
The IUPAC name of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one (CID 91297949) is (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one?
The canonical SMILES for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one is C[C@@H]1C(=O)N(C)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one?
The InChIKey is QNYQREHOXOJKCE-VHSXEESVSA-N. The full InChI is InChI=1S/C12H25NO2Si/c1-9-10(8-13(5)11(9)14)15-16(6,7)12(2,3)4/h9-10H,8H2,1-7H3/t9-,10+/m0/s1.
What are the key properties of (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one?
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one has a molecular weight of 243.42 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 91297949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).