2-ethoxy-N-methyl-2-oxoethanimine oxide

C5H9NO3 — CID 10986255

IUPAC2-ethoxy-N-methyl-2-oxoethanimine oxide
SMILESCCOC(=O)/C=[N+](\C)[O-]
InChIInChI=1S/C5H9NO3/c1-3-9-5(7)4-6(2)8/h4H,3H2,1-2H3/b6-4+
InChIKeyDHVKJXUIAIUEJF-GQCTYLIASA-N
MW131.13 g/mol
LogP-0.24
Rot. Bonds2

About 2-ethoxy-N-methyl-2-oxoethanimine oxide

2-ethoxy-N-methyl-2-oxoethanimine oxide (PubChem CID 10986255) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-2-oxoethanimine oxide.

Molecular Properties

Compound Name2-ethoxy-N-methyl-2-oxoethanimine oxide
PubChem CID10986255
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name2-ethoxy-N-methyl-2-oxoethanimine oxide
SMILESCCOC(=O)/C=[N+](\C)[O-]
InChIInChI=1S/C5H9NO3/c1-3-9-5(7)4-6(2)8/h4H,3H2,1-2H3/b6-4+
InChIKeyDHVKJXUIAIUEJF-GQCTYLIASA-N
XLogP-0.24
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-2-oxoethanimine oxide?
The IUPAC name of 2-ethoxy-N-methyl-2-oxoethanimine oxide (CID 10986255) is 2-ethoxy-N-methyl-2-oxoethanimine oxide.
What is the SMILES notation for 2-ethoxy-N-methyl-2-oxoethanimine oxide?
The canonical SMILES for 2-ethoxy-N-methyl-2-oxoethanimine oxide is CCOC(=O)/C=[N+](\C)[O-].
What is the InChIKey of 2-ethoxy-N-methyl-2-oxoethanimine oxide?
The InChIKey is DHVKJXUIAIUEJF-GQCTYLIASA-N. The full InChI is InChI=1S/C5H9NO3/c1-3-9-5(7)4-6(2)8/h4H,3H2,1-2H3/b6-4+.
What are the key properties of 2-ethoxy-N-methyl-2-oxoethanimine oxide?
2-ethoxy-N-methyl-2-oxoethanimine oxide has a molecular weight of 131.13 g/mol, XLogP of -0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-2-oxoethanimine oxide is sourced from PubChem (CID 10986255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).