[3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate

C9H19NO4Si — CID 59383622

IUPAC[3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate
SMILESC=CC(=O)ONCCC[Si](C)(OC)OC
InChIInChI=1S/C9H19NO4Si/c1-5-9(11)14-10-7-6-8-15(4,12-2)13-3/h5,10H,1,6-8H2,2-4H3
InChIKeyHBBQGZZUUKZJBK-UHFFFAOYSA-N
MW233.34 g/mol
LogP0.98
Rot. Bonds8

About [3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate

[3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate (PubChem CID 59383622) has the molecular formula C9H19NO4Si and a molecular weight of 233.34 g/mol. Its IUPAC name is [3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate.

Molecular Properties

Compound Name[3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate
PubChem CID59383622
Molecular FormulaC9H19NO4Si
Molecular Weight233.34 g/mol
Exact Mass233.11
IUPAC Name[3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate
SMILESC=CC(=O)ONCCC[Si](C)(OC)OC
InChIInChI=1S/C9H19NO4Si/c1-5-9(11)14-10-7-6-8-15(4,12-2)13-3/h5,10H,1,6-8H2,2-4H3
InChIKeyHBBQGZZUUKZJBK-UHFFFAOYSA-N
XLogP0.98
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[dimethoxy(methyl)silyl]propyl]prop-2-enamide
CID 23152140
2-[2-[2-[dimethoxy(methyl)silyl]ethoxy]ethoxy]ethyl prop-2-enoate
CID 171586984
(E)-4-[3-[dimethoxy(methyl)silyl]propylamino]-4-oxobut-2-enoic acid
CID 174032211
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-trichlorosilylpropyl prop-2-enoate
CID 87857692
3-[dimethoxy(methyl)silyl]propyl prop-2-enoate;3-triethoxysilylpropyl prop-2-enoate
CID 87188845
3-(methoxy-methyl-propoxysilyl)propyl prop-2-enoate
CID 172555939
2-[3-[dimethoxy(methyl)silyl]propylamino]ethanol
CID 23089047
3-[3-[dimethoxy(methyl)silyl]propylamino]propan-1-ol
CID 150629317
dimethoxy-methyl-(3-prop-2-enoxypropyl)silane
CID 87181288
2-[2-[2-[2-[2-(3-trimethoxysilylpropylcarbamoyloxy)ethoxy]ethoxy]ethoxy]ethoxycarbonylamino]ethyl prop-2-enoate
CID 162702779
bis(hexylamino) (Z)-but-2-enedioate
CID 174812524
[2,2-bis(prop-2-enoyloxymethyl)-3-[2-(prop-2-enoyloxymethyl)-3-(3-trimethoxysilylpropylcarbamoyloxy)-2-(3-trimethoxysilylpropylcarbamoyloxymethyl)propoxy]propyl] prop-2-enoate
CID 154506639

Frequently Asked Questions

What is the IUPAC name of [3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate?
The IUPAC name of [3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate (CID 59383622) is [3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate.
What is the SMILES notation for [3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate?
The canonical SMILES for [3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate is C=CC(=O)ONCCC[Si](C)(OC)OC.
What is the InChIKey of [3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate?
The InChIKey is HBBQGZZUUKZJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4Si/c1-5-9(11)14-10-7-6-8-15(4,12-2)13-3/h5,10H,1,6-8H2,2-4H3.
What are the key properties of [3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate?
[3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate has a molecular weight of 233.34 g/mol, XLogP of 0.98, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[dimethoxy(methyl)silyl]propylamino] prop-2-enoate is sourced from PubChem (CID 59383622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).