ethyl (2E)-2-methoxyiminoacetate

C5H9NO3 — CID 12802276

IUPACethyl (2E)-2-methoxyiminoacetate
SMILESCCOC(=O)/C=N/OC
InChIInChI=1S/C5H9NO3/c1-3-9-5(7)4-6-8-2/h4H,3H2,1-2H3/b6-4+
InChIKeyYXJZAMRXWYECTM-GQCTYLIASA-N
MW131.13 g/mol
LogP0.18
Rot. Bonds3

About ethyl (2E)-2-methoxyiminoacetate

ethyl (2E)-2-methoxyiminoacetate (PubChem CID 12802276) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is ethyl (2E)-2-methoxyiminoacetate.

Molecular Properties

Compound Nameethyl (2E)-2-methoxyiminoacetate
PubChem CID12802276
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Nameethyl (2E)-2-methoxyiminoacetate
SMILESCCOC(=O)/C=N/OC
InChIInChI=1S/C5H9NO3/c1-3-9-5(7)4-6-8-2/h4H,3H2,1-2H3/b6-4+
InChIKeyYXJZAMRXWYECTM-GQCTYLIASA-N
XLogP0.18
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 50.18
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 (2E)-2-methoxyiminoacetate?
The IUPAC name of ethyl (2E)-2-methoxyiminoacetate (CID 12802276) is ethyl (2E)-2-methoxyiminoacetate.
What is the SMILES notation for ethyl (2E)-2-methoxyiminoacetate?
The canonical SMILES for ethyl (2E)-2-methoxyiminoacetate is CCOC(=O)/C=N/OC.
What is the InChIKey of ethyl (2E)-2-methoxyiminoacetate?
The InChIKey is YXJZAMRXWYECTM-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9NO3/c1-3-9-5(7)4-6-8-2/h4H,3H2,1-2H3/b6-4+.
What are the key properties of ethyl (2E)-2-methoxyiminoacetate?
ethyl (2E)-2-methoxyiminoacetate has a molecular weight of 131.13 g/mol, XLogP of 0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-methoxyiminoacetate is sourced from PubChem (CID 12802276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).