3-acetyl-1-[bis(trimethylsilyl)methyl]-4,4,5-trimethylpyrrolidin-2-one

C16H33NO2Si2 — CID 102246244

IUPAC3-acetyl-1-[bis(trimethylsilyl)methyl]-4,4,5-trimethylpyrrolidin-2-one
SMILESCC(=O)C1C(=O)N(C([Si](C)(C)C)[Si](C)(C)C)C(C)C1(C)C
InChIInChI=1S/C16H33NO2Si2/c1-11(18)13-14(19)17(12(2)16(13,3)4)15(20(5,6)7)21(8,9)10/h12-13,15H,1-10H3
InChIKeyIIXLXNSAUDYJLS-UHFFFAOYSA-N
MW327.62 g/mol
LogP3.57
Rot. Bonds4

About 3-acetyl-1-[bis(trimethylsilyl)methyl]-4,4,5-trimethylpyrrolidin-2-one

3-acetyl-1-[bis(trimethylsilyl)methyl]-4,4,5-trimethylpyrrolidin-2-one (PubChem CID 102246244) has the molecular formula C16H33NO2Si2 and a molecular weight of 327.62 g/mol. Its IUPAC name is 3-acetyl-1-[bis(trimethylsilyl)methyl]-4,4,5-trimethylpyrrolidin-2-one.

Molecular Properties

Compound Name3-acetyl-1-[bis(trimethylsilyl)methyl]-4,4,5-trimethylpyrrolidin-2-one
PubChem CID102246244
Molecular FormulaC16H33NO2Si2
Molecular Weight327.62 g/mol
Exact Mass327.20
IUPAC Name3-acetyl-1-[bis(trimethylsilyl)methyl]-4,4,5-trimethylpyrrolidin-2-one
SMILESCC(=O)C1C(=O)N(C([Si](C)(C)C)[Si](C)(C)C)C(C)C1(C)C
InChIInChI=1S/C16H33NO2Si2/c1-11(18)13-14(19)17(12(2)16(13,3)4)15(20(5,6)7)21(8,9)10/h12-13,15H,1-10H3
InChIKeyIIXLXNSAUDYJLS-UHFFFAOYSA-N
XLogP3.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.62
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-acetyl-1-[bis(trimethylsilyl)methyl]-3a,4,5,6,7,7a-hexahydro-3H-indol-2-one
CID 101372642
(3R)-3-amino-1-[bis(trimethylsilyl)methyl]-4,4-dimethylazetidin-2-one
CID 90425260
(3R,4S,5R)-3-acetyl-4,5-dimethyl-1-propan-2-ylpyrrolidin-2-one
CID 59097313
1-[(4S)-2,4,5,5-tetramethyl-1,3-oxazolidin-3-yl]ethanone
CID 58307516
3,4-diacetyl-1-hydroxypyrrolidine-2,5-dione
CID 141086126
1-(2,2-dimethyl-3-methylidenecyclopropyl)ethanone
CID 12754424
3-acetyl-5,5-diethyl-4,4-dimethyloxolan-2-one
CID 10560499
2-acetyl-2-methylcyclopropan-1-one
CID 58194854
3,4-dimethyl-1-propan-2-ylpyrrolidine-2,5-dione
CID 22957000
1-hydroxy-5,5,6-trimethylpiperidin-2-one
CID 102314658
1-[(1R,5S)-5-hydroxy-2,3,5-trimethylcyclopent-2-en-1-yl]ethanone
CID 131007708
2-(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)-3-hydroxypropanoic acid
CID 66166497

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-[bis(trimethylsilyl)methyl]-4,4,5-trimethylpyrrolidin-2-one?
The IUPAC name of 3-acetyl-1-[bis(trimethylsilyl)methyl]-4,4,5-trimethylpyrrolidin-2-one (CID 102246244) is 3-acetyl-1-[bis(trimethylsilyl)methyl]-4,4,5-trimethylpyrrolidin-2-one.
What is the SMILES notation for 3-acetyl-1-[bis(trimethylsilyl)methyl]-4,4,5-trimethylpyrrolidin-2-one?
The canonical SMILES for 3-acetyl-1-[bis(trimethylsilyl)methyl]-4,4,5-trimethylpyrrolidin-2-one is CC(=O)C1C(=O)N(C([Si](C)(C)C)[Si](C)(C)C)C(C)C1(C)C.
What is the InChIKey of 3-acetyl-1-[bis(trimethylsilyl)methyl]-4,4,5-trimethylpyrrolidin-2-one?
The InChIKey is IIXLXNSAUDYJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2Si2/c1-11(18)13-14(19)17(12(2)16(13,3)4)15(20(5,6)7)21(8,9)10/h12-13,15H,1-10H3.
What are the key properties of 3-acetyl-1-[bis(trimethylsilyl)methyl]-4,4,5-trimethylpyrrolidin-2-one?
3-acetyl-1-[bis(trimethylsilyl)methyl]-4,4,5-trimethylpyrrolidin-2-one has a molecular weight of 327.62 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-[bis(trimethylsilyl)methyl]-4,4,5-trimethylpyrrolidin-2-one is sourced from PubChem (CID 102246244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).