potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate

C11H16KN3O3Si — CID 160723156

IUPACpotassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
SMILES[C-]#[N+]c1cn(COCC[Si](C)(C)C)c(C(=O)[O-])n1.[K+]
InChIInChI=1S/C11H17N3O3Si.K/c1-12-9-7-14(10(13-9)11(15)16)8-17-5-6-18(2,3)4;/h7H,5-6,8H2,2-4H3,(H,15,16);/q;+1/p-1
InChIKeyHRUJFRLIHLKENM-UHFFFAOYSA-M
MW305.45 g/mol
LogP-1.89
Rot. Bonds6

About potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate

potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate (PubChem CID 160723156) has the molecular formula C11H16KN3O3Si and a molecular weight of 305.45 g/mol. Its IUPAC name is potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate.

Molecular Properties

Compound Namepotassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
PubChem CID160723156
Molecular FormulaC11H16KN3O3Si
Molecular Weight305.45 g/mol
Exact Mass305.06
IUPAC Namepotassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
SMILES[C-]#[N+]c1cn(COCC[Si](C)(C)C)c(C(=O)[O-])n1.[K+]
InChIInChI=1S/C11H17N3O3Si.K/c1-12-9-7-14(10(13-9)11(15)16)8-17-5-6-18(2,3)4;/h7H,5-6,8H2,2-4H3,(H,15,16);/q;+1/p-1
InChIKeyHRUJFRLIHLKENM-UHFFFAOYSA-M
XLogP-1.89
TPSA71.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 5-1.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-trimethylsilylethoxymethyl)imidazole-2,4-dicarboxylic acid
CID 159721123
4-methyl-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 142729257
4-bromo-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 140827014
potassium;methyl 4H-pyrazole-3-carboxylate;methyl 4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate;4-(2-trimethylsilylethoxymethyl)-1,2,4-triazole-3-carboxylate
CID 158518942
propan-2-yl 4-cyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate
CID 73053474
4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylic acid
CID 89459246
1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxamide
CID 68592326
lithium;4-bromo-5-deuterio-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate;ethyl 5-deuterio-4-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-1-ium-3-carboxylate;bromide
CID 162121650
2-[1-(2-trimethylsilylethoxymethyl)indol-3-yl]acetic acid
CID 22170985
trimethyl-[2-[(2-methyl-4-nitroimidazol-1-yl)methoxy]ethyl]silane
CID 168974471
methyl 2-formyl-1-(2-trimethylsilylethoxymethyl)imidazole-4-carboxylate
CID 58638526
2-[(3-bromo-5-fluoro-6-isocyanoindol-1-yl)methoxy]ethyl-trimethylsilane
CID 167375991

Frequently Asked Questions

What is the IUPAC name of potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate?
The IUPAC name of potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate (CID 160723156) is potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate.
What is the SMILES notation for potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate?
The canonical SMILES for potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate is [C-]#[N+]c1cn(COCC[Si](C)(C)C)c(C(=O)[O-])n1.[K+].
What is the InChIKey of potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate?
The InChIKey is HRUJFRLIHLKENM-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H17N3O3Si.K/c1-12-9-7-14(10(13-9)11(15)16)8-17-5-6-18(2,3)4;/h7H,5-6,8H2,2-4H3,(H,15,16);/q;+1/p-1.
What are the key properties of potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate?
potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate has a molecular weight of 305.45 g/mol, XLogP of -1.89, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-isocyano-1-(2-trimethylsilylethoxymethyl)imidazole-2-carboxylate is sourced from PubChem (CID 160723156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).