1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one

C13H27NO2Si — CID 11482299

IUPAC1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one
SMILESCCC(=O)N1CCC(O[Si](CC)(CC)CC)C1
InChIInChI=1S/C13H27NO2Si/c1-5-13(15)14-10-9-12(11-14)16-17(6-2,7-3)8-4/h12H,5-11H2,1-4H3
InChIKeyNEQBIZDEVUNRHL-UHFFFAOYSA-N
MW257.45 g/mol
LogP3.02
Rot. Bonds6

About 1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one

1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one (PubChem CID 11482299) has the molecular formula C13H27NO2Si and a molecular weight of 257.45 g/mol. Its IUPAC name is 1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one
PubChem CID11482299
Molecular FormulaC13H27NO2Si
Molecular Weight257.45 g/mol
Exact Mass257.18
IUPAC Name1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one
SMILESCCC(=O)N1CCC(O[Si](CC)(CC)CC)C1
InChIInChI=1S/C13H27NO2Si/c1-5-13(15)14-10-9-12(11-14)16-17(6-2,7-3)8-4/h12H,5-11H2,1-4H3
InChIKeyNEQBIZDEVUNRHL-UHFFFAOYSA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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

(3R)-1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-fluoropyrrolidin-2-one
CID 175722809
(S)-2-(tert-butyldimethylsilyloxy)-1-(pyrrolidin-1-yl)propan-1-one
CID 11807344
(S)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-propargyl-2-pyrrolidinone
CID 15086767
(R)-3-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-propargyl-2-pyrrolidinone
CID 15086768
(S)-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-(2-propynyl)-2-pyrrolidinone
CID 15086816
3-[Tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 17952878
3-[Tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylpyrrolidin-2-one
CID 19043574
1-[1-Tri(propan-2-yloxy)silylethyl]pyrrolidin-2-one
CID 19362054
1-[1-[Diethoxy(methyl)silyl]ethyl]pyrrolidin-2-one
CID 19362080
1-[3-[Diethoxy(methyl)silyl]propyl]pyrrolidin-2-one
CID 19757124
4-[Tert-butyl(dimethyl)silyl]oxy-1-methylpyrrolidin-2-one
CID 19765122
4-[Tert-butyl(dimethyl)silyl]oxy-1-prop-2-ynylpyrrolidin-2-one
CID 19909899

Frequently Asked Questions

What is the IUPAC name of 1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one?
The IUPAC name of 1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one (CID 11482299) is 1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one is CCC(=O)N1CCC(O[Si](CC)(CC)CC)C1.
What is the InChIKey of 1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one?
The InChIKey is NEQBIZDEVUNRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2Si/c1-5-13(15)14-10-9-12(11-14)16-17(6-2,7-3)8-4/h12H,5-11H2,1-4H3.
What are the key properties of 1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one?
1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one has a molecular weight of 257.45 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-triethylsilyloxypyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 11482299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).