ethyl (2Z)-2-ethoxyiminobutanoate

C8H15NO3 — CID 20717751

IUPACethyl (2Z)-2-ethoxyiminobutanoate
SMILESCCO/N=C(/CC)C(=O)OCC
InChIInChI=1S/C8H15NO3/c1-4-7(9-12-6-3)8(10)11-5-2/h4-6H2,1-3H3/b9-7-
InChIKeyOISZWAMBDOREGX-CLFYSBASSA-N
MW173.21 g/mol
LogP1.35
Rot. Bonds5

About ethyl (2Z)-2-ethoxyiminobutanoate

ethyl (2Z)-2-ethoxyiminobutanoate (PubChem CID 20717751) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is ethyl (2Z)-2-ethoxyiminobutanoate.

Molecular Properties

Compound Nameethyl (2Z)-2-ethoxyiminobutanoate
PubChem CID20717751
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Nameethyl (2Z)-2-ethoxyiminobutanoate
SMILESCCO/N=C(/CC)C(=O)OCC
InChIInChI=1S/C8H15NO3/c1-4-7(9-12-6-3)8(10)11-5-2/h4-6H2,1-3H3/b9-7-
InChIKeyOISZWAMBDOREGX-CLFYSBASSA-N
XLogP1.35
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-ethoxyiminobutanoate?
The IUPAC name of ethyl (2Z)-2-ethoxyiminobutanoate (CID 20717751) is ethyl (2Z)-2-ethoxyiminobutanoate.
What is the SMILES notation for ethyl (2Z)-2-ethoxyiminobutanoate?
The canonical SMILES for ethyl (2Z)-2-ethoxyiminobutanoate is CCO/N=C(/CC)C(=O)OCC.
What is the InChIKey of ethyl (2Z)-2-ethoxyiminobutanoate?
The InChIKey is OISZWAMBDOREGX-CLFYSBASSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-7(9-12-6-3)8(10)11-5-2/h4-6H2,1-3H3/b9-7-.
What are the key properties of ethyl (2Z)-2-ethoxyiminobutanoate?
ethyl (2Z)-2-ethoxyiminobutanoate has a molecular weight of 173.21 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-ethoxyiminobutanoate is sourced from PubChem (CID 20717751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).