tert-butyl 2-ethenyliminoacetate

C8H13NO2 — CID 87963638

IUPACtert-butyl 2-ethenyliminoacetate
SMILESC=C/N=C/C(=O)OC(C)(C)C
InChIInChI=1S/C8H13NO2/c1-5-9-6-7(10)11-8(2,3)4/h5-6H,1H2,2-4H3/b9-6+
InChIKeyHYENBMXYSGJJSY-RMKNXTFCSA-N
MW155.20 g/mol
LogP1.54
Rot. Bonds2

About tert-butyl 2-ethenyliminoacetate

tert-butyl 2-ethenyliminoacetate (PubChem CID 87963638) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is tert-butyl 2-ethenyliminoacetate.

Molecular Properties

Compound Nametert-butyl 2-ethenyliminoacetate
PubChem CID87963638
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Nametert-butyl 2-ethenyliminoacetate
SMILESC=C/N=C/C(=O)OC(C)(C)C
InChIInChI=1S/C8H13NO2/c1-5-9-6-7(10)11-8(2,3)4/h5-6H,1H2,2-4H3/b9-6+
InChIKeyHYENBMXYSGJJSY-RMKNXTFCSA-N
XLogP1.54
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl prop-2-enoate
CID 158231977
tert-butyl prop-2-enoate;methanol
CID 174833528
potassium;tert-butyl prop-2-enoate;hydride
CID 174867410
tert-butyl prop-2-enoate;2-methylpropan-2-ol
CID 157277842
tert-butyl prop-2-enoate;cyclopentatetracontane
CID 174869509
tert-butyl prop-2-enoate;cycloicosane
CID 174934602
tert-butyl prop-2-enoate;cyclononadecane
CID 174964635
tert-butyl prop-2-enoate;carbamic acid
CID 162149452
tert-butyl prop-2-enoate;methyl prop-2-enoate
CID 174394001
tert-butyl prop-2-enoate;palladium;sulfuric acid
CID 174893480
tert-butyl prop-2-enoate;1,4-dioxane
CID 174977908
tert-butyl prop-2-enoate;methane;2-propan-2-ylperoxypropane
CID 174833427

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-ethenyliminoacetate?
The IUPAC name of tert-butyl 2-ethenyliminoacetate (CID 87963638) is tert-butyl 2-ethenyliminoacetate.
What is the SMILES notation for tert-butyl 2-ethenyliminoacetate?
The canonical SMILES for tert-butyl 2-ethenyliminoacetate is C=C/N=C/C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-ethenyliminoacetate?
The InChIKey is HYENBMXYSGJJSY-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-9-6-7(10)11-8(2,3)4/h5-6H,1H2,2-4H3/b9-6+.
What are the key properties of tert-butyl 2-ethenyliminoacetate?
tert-butyl 2-ethenyliminoacetate has a molecular weight of 155.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-ethenyliminoacetate is sourced from PubChem (CID 87963638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).