1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone

C17H27NOSi — CID 15418143

IUPAC1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1[C@H](C)[C@@H]([Si](C)(C)c2ccccc2)CC1(C)C
InChIInChI=1S/C17H27NOSi/c1-13-16(12-17(3,4)18(13)14(2)19)20(5,6)15-10-8-7-9-11-15/h7-11,13,16H,12H2,1-6H3/t13-,16+/m1/s1
InChIKeyGUAUWDJANLKSDF-CJNGLKHVSA-N
MW289.49 g/mol
LogP3.39
Rot. Bonds2

About 1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone

1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone (PubChem CID 15418143) has the molecular formula C17H27NOSi and a molecular weight of 289.49 g/mol. Its IUPAC name is 1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone
PubChem CID15418143
Molecular FormulaC17H27NOSi
Molecular Weight289.49 g/mol
Exact Mass289.19
IUPAC Name1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1[C@H](C)[C@@H]([Si](C)(C)c2ccccc2)CC1(C)C
InChIInChI=1S/C17H27NOSi/c1-13-16(12-17(3,4)18(13)14(2)19)20(5,6)15-10-8-7-9-11-15/h7-11,13,16H,12H2,1-6H3/t13-,16+/m1/s1
InChIKeyGUAUWDJANLKSDF-CJNGLKHVSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone (CID 15418143) is 1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone is CC(=O)N1[C@H](C)[C@@H]([Si](C)(C)c2ccccc2)CC1(C)C.
What is the InChIKey of 1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone?
The InChIKey is GUAUWDJANLKSDF-CJNGLKHVSA-N. The full InChI is InChI=1S/C17H27NOSi/c1-13-16(12-17(3,4)18(13)14(2)19)20(5,6)15-10-8-7-9-11-15/h7-11,13,16H,12H2,1-6H3/t13-,16+/m1/s1.
What are the key properties of 1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone?
1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone has a molecular weight of 289.49 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S,5R)-4-[dimethyl(phenyl)silyl]-2,2,5-trimethylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 15418143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).