1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone

C16H25NOSi — CID 10612466

IUPAC1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1C[C@H](C[Si](C)(C)c2ccccc2)[C@H](C)C1
InChIInChI=1S/C16H25NOSi/c1-13-10-17(14(2)18)11-15(13)12-19(3,4)16-8-6-5-7-9-16/h5-9,13,15H,10-12H2,1-4H3/t13-,15-/m1/s1
InChIKeyUSONDRHRCWPXSO-UKRRQHHQSA-N
MW275.47 g/mol
LogP2.72
Rot. Bonds3

About 1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone

1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone (PubChem CID 10612466) has the molecular formula C16H25NOSi and a molecular weight of 275.47 g/mol. Its IUPAC name is 1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone
PubChem CID10612466
Molecular FormulaC16H25NOSi
Molecular Weight275.47 g/mol
Exact Mass275.17
IUPAC Name1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1C[C@H](C[Si](C)(C)c2ccccc2)[C@H](C)C1
InChIInChI=1S/C16H25NOSi/c1-13-10-17(14(2)18)11-15(13)12-19(3,4)16-8-6-5-7-9-16/h5-9,13,15H,10-12H2,1-4H3/t13-,15-/m1/s1
InChIKeyUSONDRHRCWPXSO-UKRRQHHQSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[dimethyl(phenyl)silyl]-N,N-diethylhept-6-enamide
CID 86003269
(E)-3-[dimethyl(phenyl)silyl]-N,N-diethylhept-2-enamide
CID 134950259
(E)-7-[dimethyl(phenyl)silyl]-N,N-diethylhept-6-enamide
CID 134999553
tert-butyl 3-[(E,1S)-1-[dimethyl(phenyl)silyl]but-2-enyl]pyrrolidine-1-carboxylate
CID 154720231
tert-butyl (2R)-2-[dimethyl(phenyl)silyl]pyrrolidine-1-carboxylate
CID 162401376
1-[2-[Dimethyl(phenyl)silyl]ethyl]pyrrolidin-2-one
CID 162408048
1-[3-[[Dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]-2,2,2-trifluoroethanone
CID 162537203
(3R)-3-[(1S)-1-[dimethyl(phenyl)silyl]ethyl]-1-methylazetidin-2-one
CID 10800536
1-[4-[benzyl(dimethyl)silyl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 59628494
N-cyclopenta-1,3-dien-1-yl-N,2,2,3-tetramethyl-3-[methyl(phenyl)silyl]butanamide
CID 123827323
Benzene;ethane;methane;bis(2-methylpropane);1-pyrrolidin-1-ylethanone
CID 157906602
Benzene;1-pyrrolidin-1-ylethanone
CID 159708623

Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone (CID 10612466) is 1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone is CC(=O)N1C[C@H](C[Si](C)(C)c2ccccc2)[C@H](C)C1.
What is the InChIKey of 1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone?
The InChIKey is USONDRHRCWPXSO-UKRRQHHQSA-N. The full InChI is InChI=1S/C16H25NOSi/c1-13-10-17(14(2)18)11-15(13)12-19(3,4)16-8-6-5-7-9-16/h5-9,13,15H,10-12H2,1-4H3/t13-,15-/m1/s1.
What are the key properties of 1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone?
1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone has a molecular weight of 275.47 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-[[dimethyl(phenyl)silyl]methyl]-4-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 10612466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).