[2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone

C18H33NO3Si3 — CID 101469596

IUPAC[2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESC[Si](C)(C)O[Si](C)(O[Si](C)(C)C)c1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C18H33NO3Si3/c1-23(2,3)21-25(7,22-24(4,5)6)17-13-9-8-12-16(17)18(20)19-14-10-11-15-19/h8-9,12-13H,10-11,14-15H2,1-7H3
InChIKeyZOGBLVSCVGEIHR-UHFFFAOYSA-N
MW395.72 g/mol
LogP3.90
Rot. Bonds6

About [2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone

[2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone (PubChem CID 101469596) has the molecular formula C18H33NO3Si3 and a molecular weight of 395.72 g/mol. Its IUPAC name is [2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone
PubChem CID101469596
Molecular FormulaC18H33NO3Si3
Molecular Weight395.72 g/mol
Exact Mass395.18
IUPAC Name[2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone
SMILESC[Si](C)(C)O[Si](C)(O[Si](C)(C)C)c1ccccc1C(=O)N1CCCC1
InChIInChI=1S/C18H33NO3Si3/c1-23(2,3)21-25(7,22-24(4,5)6)17-13-9-8-12-16(17)18(20)19-14-10-11-15-19/h8-9,12-13H,10-11,14-15H2,1-7H3
InChIKeyZOGBLVSCVGEIHR-UHFFFAOYSA-N
XLogP3.90
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.72
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(piperidine-1-carbonyl)phenolate
CID 101121314
azepan-1-yl-(2-methylphenyl)methanone
CID 4616576
[2-(piperidine-1-carbonyl)phenyl]boronic acid
CID 90477220
piperidin-1-yl-[2-(2-trimethylsilylethynyl)phenyl]methanone
CID 101009068
(2-iodophenyl)-piperidin-1-ylmethanone
CID 962070
(2-aminophenyl)-(azepan-1-yl)methanone
CID 726247
(2-aminophenyl)-piperidin-1-ylmethanone
CID 558730
methyl N-[2-(pyrrolidine-1-carbonyl)phenyl]carbamate
CID 551078
(2-isocyanatophenyl)-pyrrolidin-1-ylmethanone
CID 169352411
(3-chloro-2-methylphenyl)-pyrrolidin-1-ylmethanone;ethane
CID 170773608
[5-cyclopropyl-1-(2-methylphenyl)pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 36993627
(5-cyclopropyl-1-phenylpyrazol-4-yl)-piperidin-1-ylmethanone
CID 39992588

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone (CID 101469596) is [2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone is C[Si](C)(C)O[Si](C)(O[Si](C)(C)C)c1ccccc1C(=O)N1CCCC1.
What is the InChIKey of [2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZOGBLVSCVGEIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO3Si3/c1-23(2,3)21-25(7,22-24(4,5)6)17-13-9-8-12-16(17)18(20)19-14-10-11-15-19/h8-9,12-13H,10-11,14-15H2,1-7H3.
What are the key properties of [2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone?
[2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone has a molecular weight of 395.72 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl-bis(trimethylsilyloxy)silyl]phenyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 101469596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).