(3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one

C19H43NOSi4 — CID 11258478

IUPAC(3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one
SMILESCC(C)CN1CCC/C(=C\[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C1=O
InChIInChI=1S/C19H43NOSi4/c1-17(2)15-20-14-12-13-18(19(20)21)16-25(22(3,4)5,23(6,7)8)24(9,10)11/h16-17H,12-15H2,1-11H3/b18-16+
InChIKeyFRNMNRBYMQQLIM-FBMGVBCBSA-N
MW413.90 g/mol
LogP5.43
Rot. Bonds6

About (3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one

(3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one (PubChem CID 11258478) has the molecular formula C19H43NOSi4 and a molecular weight of 413.90 g/mol. Its IUPAC name is (3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one.

Molecular Properties

Compound Name(3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one
PubChem CID11258478
Molecular FormulaC19H43NOSi4
Molecular Weight413.90 g/mol
Exact Mass413.24
IUPAC Name(3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one
SMILESCC(C)CN1CCC/C(=C\[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C1=O
InChIInChI=1S/C19H43NOSi4/c1-17(2)15-20-14-12-13-18(19(20)21)16-25(22(3,4)5,23(6,7)8)24(9,10)11/h16-17H,12-15H2,1-11H3/b18-16+
InChIKeyFRNMNRBYMQQLIM-FBMGVBCBSA-N
XLogP5.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.90
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one?
The IUPAC name of (3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one (CID 11258478) is (3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one.
What is the SMILES notation for (3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one?
The canonical SMILES for (3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one is CC(C)CN1CCC/C(=C\[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)C1=O.
What is the InChIKey of (3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one?
The InChIKey is FRNMNRBYMQQLIM-FBMGVBCBSA-N. The full InChI is InChI=1S/C19H43NOSi4/c1-17(2)15-20-14-12-13-18(19(20)21)16-25(22(3,4)5,23(6,7)8)24(9,10)11/h16-17H,12-15H2,1-11H3/b18-16+.
What are the key properties of (3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one?
(3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one has a molecular weight of 413.90 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-(2-methylpropyl)-3-[tris(trimethylsilyl)silylmethylidene]piperidin-2-one is sourced from PubChem (CID 11258478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).