(aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate

C13H19NO2Si — CID 151665095

IUPAC(aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[Si](C)(CN)c1ccccc1
InChIInChI=1S/C13H19NO2Si/c1-11(2)13(15)16-10-17(3,9-14)12-7-5-4-6-8-12/h4-8H,1,9-10,14H2,2-3H3
InChIKeyQXIQYYNEOABVPV-UHFFFAOYSA-N
MW249.39 g/mol
LogP1.13
Rot. Bonds5

About (aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate

(aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate (PubChem CID 151665095) has the molecular formula C13H19NO2Si and a molecular weight of 249.39 g/mol. Its IUPAC name is (aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate
PubChem CID151665095
Molecular FormulaC13H19NO2Si
Molecular Weight249.39 g/mol
Exact Mass249.12
IUPAC Name(aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC[Si](C)(CN)c1ccccc1
InChIInChI=1S/C13H19NO2Si/c1-11(2)13(15)16-10-17(3,9-14)12-7-5-4-6-8-12/h4-8H,1,9-10,14H2,2-3H3
InChIKeyQXIQYYNEOABVPV-UHFFFAOYSA-N
XLogP1.13
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[dimethoxy(phenyl)silyl]methyl 2-methylprop-2-enoate
CID 66629429
[methoxy(diphenyl)silyl]methyl 2-methylprop-2-enoate
CID 66629625
(hydroxymethyl-methyl-phenylsilyl)methyl acetate
CID 102492893
2-triphenylsilylsulfanylethyl 2-methylprop-2-enoate
CID 102034522
3-[dimethyl-[methyl(diphenyl)silyl]oxysilyl]propyl 2-methylprop-2-enoate
CID 54512859
2-phenylpropan-2-yl 2-methylprop-2-enoate;trimethylsilylmethyl 2-methylprop-2-enoate
CID 86753510
3-[bis[[dimethyl(phenyl)silyl]oxy]-methoxysilyl]propyl 2-methylprop-2-enoate
CID 66675453
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
3-[bis[[dimethyl(phenyl)silyl]oxy]-hydroxysilyl]propyl 2-methylprop-2-enoate
CID 66674902
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883
(ethyl-methyl-phenylsilyl)methyl prop-2-enoate
CID 141219391

Frequently Asked Questions

What is the IUPAC name of (aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate?
The IUPAC name of (aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate (CID 151665095) is (aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OC[Si](C)(CN)c1ccccc1.
What is the InChIKey of (aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate?
The InChIKey is QXIQYYNEOABVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2Si/c1-11(2)13(15)16-10-17(3,9-14)12-7-5-4-6-8-12/h4-8H,1,9-10,14H2,2-3H3.
What are the key properties of (aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate?
(aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate has a molecular weight of 249.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (aminomethyl-methyl-phenylsilyl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 151665095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).