3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one

C13H27NO2Si — CID 171088967

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C13H27NO2Si/c1-10(2)14-9-8-11(12(14)15)16-17(6,7)13(3,4)5/h10-11H,8-9H2,1-7H3
InChIKeyDEBCTDBCEWLJCI-UHFFFAOYSA-N
MW257.45 g/mol
LogP3.02
Rot. Bonds3

About 3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one

3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one (PubChem CID 171088967) 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-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one
PubChem CID171088967
Molecular FormulaC13H27NO2Si
Molecular Weight257.45 g/mol
Exact Mass257.18
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CCC(O[Si](C)(C)C(C)(C)C)C1=O
InChIInChI=1S/C13H27NO2Si/c1-10(2)14-9-8-11(12(14)15)16-17(6,7)13(3,4)5/h10-11H,8-9H2,1-7H3
InChIKeyDEBCTDBCEWLJCI-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.45
LogP ≤ 53.02
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

tert-butyl-(1-hydroxypyrrolidin-3-yl)oxy-dimethylsilane
CID 85204387
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-1-[2-(2-methylpyrazol-3-yl)oxyethyl]pyrrolidin-2-one
CID 170618581
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-1-prop-2-enylpiperidine-2,6-dione
CID 46844725
1-acetyl-3-[1-[tert-butyl(dimethyl)silyl]oxyethyl]azetidin-2-one
CID 141372311
3-fluoro-1-propan-2-ylpyrrolidin-2-one
CID 45088052
1,3-di(propan-2-yl)pyrrolidin-2-one;methane
CID 158114726
2-[tert-butyl(dimethyl)silyl]oxycycloheptan-1-one
CID 14396580
(2S)-2-amino-3,3-dimethyl-N-(2-oxo-1-propan-2-ylpyrrolidin-3-yl)butanamide
CID 119785943
(3R,4R)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-methylpyrrolidine-2,5-dione
CID 10981612
4-[tert-butyl(dimethyl)silyl]oxy-3-hydroxycyclopent-2-en-1-one
CID 14070870
(3S,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1,3-dimethylpyrrolidin-2-one
CID 91297949
(4S)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-one
CID 68797298

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one (CID 171088967) is 3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CCC(O[Si](C)(C)C(C)(C)C)C1=O.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is DEBCTDBCEWLJCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2Si/c1-10(2)14-9-8-11(12(14)15)16-17(6,7)13(3,4)5/h10-11H,8-9H2,1-7H3.
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one?
3-[tert-butyl(dimethyl)silyl]oxy-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 257.45 g/mol, XLogP of 3.02, 3 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-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 171088967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).