N-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide

C12H23NOSi — CID 121015201

IUPACN-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide
SMILESC=CCC(=O)NCC/C=C/C[Si](C)(C)C
InChIInChI=1S/C12H23NOSi/c1-5-9-12(14)13-10-7-6-8-11-15(2,3)4/h5-6,8H,1,7,9-11H2,2-4H3,(H,13,14)/b8-6+
InChIKeyIMBPUWKUKCWKJN-SOFGYWHQSA-N
MW225.41 g/mol
LogP2.96
Rot. Bonds7

About N-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide

N-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide (PubChem CID 121015201) has the molecular formula C12H23NOSi and a molecular weight of 225.41 g/mol. Its IUPAC name is N-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide.

Molecular Properties

Compound NameN-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide
PubChem CID121015201
Molecular FormulaC12H23NOSi
Molecular Weight225.41 g/mol
Exact Mass225.15
IUPAC NameN-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide
SMILESC=CCC(=O)NCC/C=C/C[Si](C)(C)C
InChIInChI=1S/C12H23NOSi/c1-5-9-12(14)13-10-7-6-8-11-15(2,3)4/h5-6,8H,1,7,9-11H2,2-4H3,(H,13,14)/b8-6+
InChIKeyIMBPUWKUKCWKJN-SOFGYWHQSA-N
XLogP2.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

N-[2-(dimethylamino)ethyl]but-3-enamide
CID 89108263
N-prop-2-enyl(113C)but-3-enamide
CID 173349564
N-(9-hydroxynonyl)but-3-enamide
CID 171841682
N-(5-hydroxypentyl)but-3-enamide
CID 107318491
N-(trimethoxysilylmethyl)but-3-enamide
CID 87602585
trimethyl-[(Z)-4-trimethylsilylbut-2-enyl]silane
CID 10976510
N-methylbut-3-enamide
CID 13113546
tert-butyl 2-(but-3-enoylamino)acetate
CID 13110976
N-but-3-enylbutanamide
CID 54459050
N-hexa-3,5-dienylacetamide
CID 59663062
N-(2-aminopropyl)but-3-enamide
CID 63731694
3-(but-3-enoylamino)-2,2-dimethylpropanoic acid
CID 115427141

Frequently Asked Questions

What is the IUPAC name of N-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide?
The IUPAC name of N-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide (CID 121015201) is N-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide.
What is the SMILES notation for N-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide?
The canonical SMILES for N-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide is C=CCC(=O)NCC/C=C/C[Si](C)(C)C.
What is the InChIKey of N-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide?
The InChIKey is IMBPUWKUKCWKJN-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H23NOSi/c1-5-9-12(14)13-10-7-6-8-11-15(2,3)4/h5-6,8H,1,7,9-11H2,2-4H3,(H,13,14)/b8-6+.
What are the key properties of N-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide?
N-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide has a molecular weight of 225.41 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-5-trimethylsilylpent-3-enyl]but-3-enamide is sourced from PubChem (CID 121015201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).