(E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one

C11H21NO2Si — CID 135001341

IUPAC(E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one
SMILESC[Si](C)(C)C/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C11H21NO2Si/c1-15(2,3)10-4-5-11(13)12-6-8-14-9-7-12/h4-5H,6-10H2,1-3H3/b5-4+
InChIKeyNJPUAURFKRWMJL-SNAWJCMRSA-N
MW227.38 g/mol
LogP1.74
Rot. Bonds3

About (E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one

(E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one (PubChem CID 135001341) has the molecular formula C11H21NO2Si and a molecular weight of 227.38 g/mol. Its IUPAC name is (E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one.

Molecular Properties

Compound Name(E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one
PubChem CID135001341
Molecular FormulaC11H21NO2Si
Molecular Weight227.38 g/mol
Exact Mass227.13
IUPAC Name(E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one
SMILESC[Si](C)(C)C/C=C/C(=O)N1CCOCC1
InChIInChI=1S/C11H21NO2Si/c1-15(2,3)10-4-5-11(13)12-6-8-14-9-7-12/h4-5H,6-10H2,1-3H3/b5-4+
InChIKeyNJPUAURFKRWMJL-SNAWJCMRSA-N
XLogP1.74
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one?
The IUPAC name of (E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one (CID 135001341) is (E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one.
What is the SMILES notation for (E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one?
The canonical SMILES for (E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one is C[Si](C)(C)C/C=C/C(=O)N1CCOCC1.
What is the InChIKey of (E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one?
The InChIKey is NJPUAURFKRWMJL-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H21NO2Si/c1-15(2,3)10-4-5-11(13)12-6-8-14-9-7-12/h4-5H,6-10H2,1-3H3/b5-4+.
What are the key properties of (E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one?
(E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one has a molecular weight of 227.38 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-morpholin-4-yl-4-trimethylsilylbut-2-en-1-one is sourced from PubChem (CID 135001341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).