tert-butyl 2-isocyanoacetate;technetium

C7H11NO2Tc — CID 19845462

IUPACtert-butyl 2-isocyanoacetate;technetium
SMILES[C-]#[N+]CC(=O)OC(C)(C)C.[Tc]
InChIInChI=1S/C7H11NO2.Tc/c1-7(2,3)10-6(9)5-8-4;/h5H2,1-3H3;
InChIKeyRGKVKURCXHTHKU-UHFFFAOYSA-N
MW239.17 g/mol
LogP1.24
Rot. Bonds1

About tert-butyl 2-isocyanoacetate;technetium

tert-butyl 2-isocyanoacetate;technetium (PubChem CID 19845462) has the molecular formula C7H11NO2Tc and a molecular weight of 239.17 g/mol. Its IUPAC name is tert-butyl 2-isocyanoacetate;technetium.

Molecular Properties

Compound Nametert-butyl 2-isocyanoacetate;technetium
PubChem CID19845462
Molecular FormulaC7H11NO2Tc
Molecular Weight239.17 g/mol
Exact Mass237.99
IUPAC Nametert-butyl 2-isocyanoacetate;technetium
SMILES[C-]#[N+]CC(=O)OC(C)(C)C.[Tc]
InChIInChI=1S/C7H11NO2.Tc/c1-7(2,3)10-6(9)5-8-4;/h5H2,1-3H3;
InChIKeyRGKVKURCXHTHKU-UHFFFAOYSA-N
XLogP1.24
TPSA30.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.17
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-isocyanoacetate;technetium?
The IUPAC name of tert-butyl 2-isocyanoacetate;technetium (CID 19845462) is tert-butyl 2-isocyanoacetate;technetium.
What is the SMILES notation for tert-butyl 2-isocyanoacetate;technetium?
The canonical SMILES for tert-butyl 2-isocyanoacetate;technetium is [C-]#[N+]CC(=O)OC(C)(C)C.[Tc].
What is the InChIKey of tert-butyl 2-isocyanoacetate;technetium?
The InChIKey is RGKVKURCXHTHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2.Tc/c1-7(2,3)10-6(9)5-8-4;/h5H2,1-3H3;.
What are the key properties of tert-butyl 2-isocyanoacetate;technetium?
tert-butyl 2-isocyanoacetate;technetium has a molecular weight of 239.17 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-isocyanoacetate;technetium is sourced from PubChem (CID 19845462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).