N-(3-trimethoxysilylpropyl)but-3-enamide

C10H21NO4Si — CID 140698892

IUPACN-(3-trimethoxysilylpropyl)but-3-enamide
SMILESC=CCC(=O)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H21NO4Si/c1-5-7-10(12)11-8-6-9-16(13-2,14-3)15-4/h5H,1,6-9H2,2-4H3,(H,11,12)
InChIKeyIJNQGODNQNLQSC-UHFFFAOYSA-N
MW247.37 g/mol
LogP0.95
Rot. Bonds9

About N-(3-trimethoxysilylpropyl)but-3-enamide

N-(3-trimethoxysilylpropyl)but-3-enamide (PubChem CID 140698892) has the molecular formula C10H21NO4Si and a molecular weight of 247.37 g/mol. Its IUPAC name is N-(3-trimethoxysilylpropyl)but-3-enamide.

Molecular Properties

Compound NameN-(3-trimethoxysilylpropyl)but-3-enamide
PubChem CID140698892
Molecular FormulaC10H21NO4Si
Molecular Weight247.37 g/mol
Exact Mass247.12
IUPAC NameN-(3-trimethoxysilylpropyl)but-3-enamide
SMILESC=CCC(=O)NCCC[Si](OC)(OC)OC
InChIInChI=1S/C10H21NO4Si/c1-5-7-10(12)11-8-6-9-16(13-2,14-3)15-4/h5H,1,6-9H2,2-4H3,(H,11,12)
InChIKeyIJNQGODNQNLQSC-UHFFFAOYSA-N
XLogP0.95
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.37
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-trimethoxysilylpropyl)but-3-enamide?
The IUPAC name of N-(3-trimethoxysilylpropyl)but-3-enamide (CID 140698892) is N-(3-trimethoxysilylpropyl)but-3-enamide.
What is the SMILES notation for N-(3-trimethoxysilylpropyl)but-3-enamide?
The canonical SMILES for N-(3-trimethoxysilylpropyl)but-3-enamide is C=CCC(=O)NCCC[Si](OC)(OC)OC.
What is the InChIKey of N-(3-trimethoxysilylpropyl)but-3-enamide?
The InChIKey is IJNQGODNQNLQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4Si/c1-5-7-10(12)11-8-6-9-16(13-2,14-3)15-4/h5H,1,6-9H2,2-4H3,(H,11,12).
What are the key properties of N-(3-trimethoxysilylpropyl)but-3-enamide?
N-(3-trimethoxysilylpropyl)but-3-enamide has a molecular weight of 247.37 g/mol, XLogP of 0.95, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-trimethoxysilylpropyl)but-3-enamide is sourced from PubChem (CID 140698892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).