(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one

C10H21NO2Si — CID 68797298

IUPAC(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CNCC1=O
InChIInChI=1S/C10H21NO2Si/c1-10(2,3)14(4,5)13-9-7-11-6-8(9)12/h9,11H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyKGGRYLKOMYTCAM-VIFPVBQESA-N
MW215.37 g/mol
LogP1.55
Rot. Bonds2

About (4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one

(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one (PubChem CID 68797298) has the molecular formula C10H21NO2Si and a molecular weight of 215.37 g/mol. Its IUPAC name is (4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one.

Molecular Properties

Compound Name(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one
PubChem CID68797298
Molecular FormulaC10H21NO2Si
Molecular Weight215.37 g/mol
Exact Mass215.13
IUPAC Name(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one
SMILESCC(C)(C)[Si](C)(C)O[C@H]1CNCC1=O
InChIInChI=1S/C10H21NO2Si/c1-10(2,3)14(4,5)13-9-7-11-6-8(9)12/h9,11H,6-7H2,1-5H3/t9-/m0/s1
InChIKeyKGGRYLKOMYTCAM-VIFPVBQESA-N
XLogP1.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
5-[tert-butyl(dimethyl)silyl]oxycyclopent-2-en-1-one
CID 13057933
3-[tert-butyl(dimethyl)silyl]oxy-2-methylcyclobutan-1-one
CID 14034886
4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
CID 14070870
(3R,5S)-3-[tert-butyl(dimethyl)silyl]oxy-5-phenylpyrrolidin-2-one
CID 89246042
methyl (6R)-6-[tert-butyl(dimethyl)silyl]oxy-3-oxocyclohexene-1-carboxylate
CID 134964315
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-2,3-dihydroinden-1-one
CID 101128093
(4R,6R)-6-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylcyclohex-2-en-1-one
CID 23631211
(4S)-4-[tert-butyl(dimethyl)silyl]oxy-2-ethyl-3-methylcyclopent-2-en-1-one
CID 67642304
3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one
CID 171088967
(1R,4R,5R,6S)-5,6-bis[[tert-butyl(dimethyl)silyl]oxy]-7-oxabicyclo[2.2.1]heptan-2-one
CID 14331785
tert-butyl-dimethyl-pyrrolidin-3-yloxysilane;hydrochloride
CID 153380494

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one?
The IUPAC name of (4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one (CID 68797298) is (4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one.
What is the SMILES notation for (4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one?
The canonical SMILES for (4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one is CC(C)(C)[Si](C)(C)O[C@H]1CNCC1=O.
What is the InChIKey of (4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one?
The InChIKey is KGGRYLKOMYTCAM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H21NO2Si/c1-10(2,3)14(4,5)13-9-7-11-6-8(9)12/h9,11H,6-7H2,1-5H3/t9-/m0/s1.
What are the key properties of (4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one?
(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one has a molecular weight of 215.37 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one is sourced from PubChem (CID 68797298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).