(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one

C13H27NO2Si — CID 91799042

IUPAC(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one
SMILESCC1(C)C[C@H](CO[Si](C)(C)C(C)(C)C)NC1=O
InChIInChI=1S/C13H27NO2Si/c1-12(2,3)17(6,7)16-9-10-8-13(4,5)11(15)14-10/h10H,8-9H2,1-7H3,(H,14,15)/t10-/m1/s1
InChIKeyDQHNOUXNRYHTJW-SNVBAGLBSA-N
MW257.45 g/mol
LogP2.92
Rot. Bonds3

About (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one

(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one (PubChem CID 91799042) has the molecular formula C13H27NO2Si and a molecular weight of 257.45 g/mol. Its IUPAC name is (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one
PubChem CID91799042
Molecular FormulaC13H27NO2Si
Molecular Weight257.45 g/mol
Exact Mass257.18
IUPAC Name(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one
SMILESCC1(C)C[C@H](CO[Si](C)(C)C(C)(C)C)NC1=O
InChIInChI=1S/C13H27NO2Si/c1-12(2,3)17(6,7)16-9-10-8-13(4,5)11(15)14-10/h10H,8-9H2,1-7H3,(H,14,15)/t10-/m1/s1
InChIKeyDQHNOUXNRYHTJW-SNVBAGLBSA-N
XLogP2.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3S,5S)-3-bromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-5-[[tert-butyl(diphenyl)silyl]oxymethyl]pyrrolidin-2-one
CID 23726865
(4S)-4-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,6,6-trimethylcyclohex-2-en-1-one
CID 101372674
4-[[tert-butyl(dimethyl)silyl]oxymethyl]cyclohexan-1-one
CID 59734106
tert-butyl-dimethyl-[[(2R)-1,2,3,4-tetrahydroquinolin-2-yl]methoxy]silane
CID 132820205
[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2-azabicyclo[3.1.0]hexan-5-yl]methanol
CID 123368312
4-[[tert-butyl(dimethyl)silyl]oxymethyl]piperidin-2-one
CID 85377811
(5S)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-1-propanoylpyrrolidin-2-one
CID 101180860
4-[[tert-butyl(dimethyl)silyl]oxymethyl]pyrrolidin-2-one
CID 90458282
tert-butyl 5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethyl-2-oxopyrrolidine-1-carboxylate
CID 66622874
tert-butyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-5-oxopiperazine-1-carboxylate
CID 170904003
3-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,3-dihydropyran-6-one
CID 134890514
(1S,5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-1,3,3-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one
CID 56946000

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one?
The IUPAC name of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one (CID 91799042) is (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one?
The canonical SMILES for (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one is CC1(C)C[C@H](CO[Si](C)(C)C(C)(C)C)NC1=O.
What is the InChIKey of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one?
The InChIKey is DQHNOUXNRYHTJW-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H27NO2Si/c1-12(2,3)17(6,7)16-9-10-8-13(4,5)11(15)14-10/h10H,8-9H2,1-7H3,(H,14,15)/t10-/m1/s1.
What are the key properties of (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one?
(5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one has a molecular weight of 257.45 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 91799042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).