N-(trimethoxysilylmethyl)but-3-enamide

C8H17NO4Si — CID 87602585

IUPACN-(trimethoxysilylmethyl)but-3-enamide
SMILESC=CCC(=O)NC[Si](OC)(OC)OC
InChIInChI=1S/C8H17NO4Si/c1-5-6-8(10)9-7-14(11-2,12-3)13-4/h5H,1,6-7H2,2-4H3,(H,9,10)
InChIKeyQTKSIVZGEDKXHW-UHFFFAOYSA-N
MW219.31 g/mol
LogP0.10
Rot. Bonds7

About N-(trimethoxysilylmethyl)but-3-enamide

N-(trimethoxysilylmethyl)but-3-enamide (PubChem CID 87602585) has the molecular formula C8H17NO4Si and a molecular weight of 219.31 g/mol. Its IUPAC name is N-(trimethoxysilylmethyl)but-3-enamide.

Molecular Properties

Compound NameN-(trimethoxysilylmethyl)but-3-enamide
PubChem CID87602585
Molecular FormulaC8H17NO4Si
Molecular Weight219.31 g/mol
Exact Mass219.09
IUPAC NameN-(trimethoxysilylmethyl)but-3-enamide
SMILESC=CCC(=O)NC[Si](OC)(OC)OC
InChIInChI=1S/C8H17NO4Si/c1-5-6-8(10)9-7-14(11-2,12-3)13-4/h5H,1,6-7H2,2-4H3,(H,9,10)
InChIKeyQTKSIVZGEDKXHW-UHFFFAOYSA-N
XLogP0.10
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.31
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(trimethoxysilylmethyl)pent-4-enamide
CID 91315937
N-(trimethoxysilylmethyl)prop-2-en-1-amine
CID 71365103
N-prop-2-enyl(113C)but-3-enamide
CID 173349564
1-(trimethoxysilylmethyl)-3-[(E)-4-(trimethoxysilylmethylcarbamoylamino)but-2-enyl]urea
CID 140827461
N-methylbut-3-enamide
CID 13113546
tert-butyl 2-(but-3-enoylamino)acetate
CID 13110976
3-(but-3-enoylamino)-2,2-dimethylpropanoic acid
CID 115427141
N-[2-(dimethylamino)ethyl]but-3-enamide
CID 89108263
N-(2-aminopropyl)but-3-enamide
CID 63731694
prop-2-enyl N-(3-trimethoxysilylpropyl)carbamate
CID 18672768
N-hydroxybut-3-enamide
CID 11804686
N-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide
CID 121015201

Frequently Asked Questions

What is the IUPAC name of N-(trimethoxysilylmethyl)but-3-enamide?
The IUPAC name of N-(trimethoxysilylmethyl)but-3-enamide (CID 87602585) is N-(trimethoxysilylmethyl)but-3-enamide.
What is the SMILES notation for N-(trimethoxysilylmethyl)but-3-enamide?
The canonical SMILES for N-(trimethoxysilylmethyl)but-3-enamide is C=CCC(=O)NC[Si](OC)(OC)OC.
What is the InChIKey of N-(trimethoxysilylmethyl)but-3-enamide?
The InChIKey is QTKSIVZGEDKXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4Si/c1-5-6-8(10)9-7-14(11-2,12-3)13-4/h5H,1,6-7H2,2-4H3,(H,9,10).
What are the key properties of N-(trimethoxysilylmethyl)but-3-enamide?
N-(trimethoxysilylmethyl)but-3-enamide has a molecular weight of 219.31 g/mol, XLogP of 0.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trimethoxysilylmethyl)but-3-enamide is sourced from PubChem (CID 87602585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).