trimethylsilyl 2-[[(E)-but-2-enoyl]amino]acetate

C9H17NO3Si — CID 5365997

IUPACtrimethylsilyl 2-[[(E)-but-2-enoyl]amino]acetate
SMILESC/C=C/C(=O)NCC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H17NO3Si/c1-5-6-8(11)10-7-9(12)13-14(2,3)4/h5-6H,7H2,1-4H3,(H,10,11)/b6-5+
InChIKeyYHRQPMFBFLVLRD-AATRIKPKSA-N
MW215.32 g/mol
LogP1.06
Rot. Bonds4

About trimethylsilyl 2-[[(E)-but-2-enoyl]amino]acetate

trimethylsilyl 2-[[(E)-but-2-enoyl]amino]acetate (PubChem CID 5365997) has the molecular formula C9H17NO3Si and a molecular weight of 215.32 g/mol. Its IUPAC name is trimethylsilyl 2-[[(E)-but-2-enoyl]amino]acetate.

Molecular Properties

Compound Nametrimethylsilyl 2-[[(E)-but-2-enoyl]amino]acetate
PubChem CID5365997
Molecular FormulaC9H17NO3Si
Molecular Weight215.32 g/mol
Exact Mass215.10
IUPAC Nametrimethylsilyl 2-[[(E)-but-2-enoyl]amino]acetate
SMILESC/C=C/C(=O)NCC(=O)O[Si](C)(C)C
InChIInChI=1S/C9H17NO3Si/c1-5-6-8(11)10-7-9(12)13-14(2,3)4/h5-6H,7H2,1-4H3,(H,10,11)/b6-5+
InChIKeyYHRQPMFBFLVLRD-AATRIKPKSA-N
XLogP1.06
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 51.06
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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Frequently Asked Questions

What is the IUPAC name of trimethylsilyl 2-[[(E)-but-2-enoyl]amino]acetate?
The IUPAC name of trimethylsilyl 2-[[(E)-but-2-enoyl]amino]acetate (CID 5365997) is trimethylsilyl 2-[[(E)-but-2-enoyl]amino]acetate.
What is the SMILES notation for trimethylsilyl 2-[[(E)-but-2-enoyl]amino]acetate?
The canonical SMILES for trimethylsilyl 2-[[(E)-but-2-enoyl]amino]acetate is C/C=C/C(=O)NCC(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl 2-[[(E)-but-2-enoyl]amino]acetate?
The InChIKey is YHRQPMFBFLVLRD-AATRIKPKSA-N. The full InChI is InChI=1S/C9H17NO3Si/c1-5-6-8(11)10-7-9(12)13-14(2,3)4/h5-6H,7H2,1-4H3,(H,10,11)/b6-5+.
What are the key properties of trimethylsilyl 2-[[(E)-but-2-enoyl]amino]acetate?
trimethylsilyl 2-[[(E)-but-2-enoyl]amino]acetate has a molecular weight of 215.32 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl 2-[[(E)-but-2-enoyl]amino]acetate is sourced from PubChem (CID 5365997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).