2-methoxy-N-methyl-2-oxoethanimine oxide

C4H7NO3 — CID 10866311

IUPAC2-methoxy-N-methyl-2-oxoethanimine oxide
SMILESCOC(=O)/C=[N+](\C)[O-]
InChIInChI=1S/C4H7NO3/c1-5(7)3-4(6)8-2/h3H,1-2H3/b5-3+
InChIKeyFJSJAXKIDZZICB-HWKANZROSA-N
MW117.10 g/mol
LogP-0.63
Rot. Bonds1

About 2-methoxy-N-methyl-2-oxoethanimine oxide

2-methoxy-N-methyl-2-oxoethanimine oxide (PubChem CID 10866311) has the molecular formula C4H7NO3 and a molecular weight of 117.10 g/mol. Its IUPAC name is 2-methoxy-N-methyl-2-oxoethanimine oxide.

Molecular Properties

Compound Name2-methoxy-N-methyl-2-oxoethanimine oxide
PubChem CID10866311
Molecular FormulaC4H7NO3
Molecular Weight117.10 g/mol
Exact Mass117.04
IUPAC Name2-methoxy-N-methyl-2-oxoethanimine oxide
SMILESCOC(=O)/C=[N+](\C)[O-]
InChIInChI=1S/C4H7NO3/c1-5(7)3-4(6)8-2/h3H,1-2H3/b5-3+
InChIKeyFJSJAXKIDZZICB-HWKANZROSA-N
XLogP-0.63
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.10
LogP ≤ 5-0.63
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'}

Analyze 2-methoxy-N-methyl-2-oxoethanimine oxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-2-oxoethanimine oxide?
The IUPAC name of 2-methoxy-N-methyl-2-oxoethanimine oxide (CID 10866311) is 2-methoxy-N-methyl-2-oxoethanimine oxide.
What is the SMILES notation for 2-methoxy-N-methyl-2-oxoethanimine oxide?
The canonical SMILES for 2-methoxy-N-methyl-2-oxoethanimine oxide is COC(=O)/C=[N+](\C)[O-].
What is the InChIKey of 2-methoxy-N-methyl-2-oxoethanimine oxide?
The InChIKey is FJSJAXKIDZZICB-HWKANZROSA-N. The full InChI is InChI=1S/C4H7NO3/c1-5(7)3-4(6)8-2/h3H,1-2H3/b5-3+.
What are the key properties of 2-methoxy-N-methyl-2-oxoethanimine oxide?
2-methoxy-N-methyl-2-oxoethanimine oxide has a molecular weight of 117.10 g/mol, XLogP of -0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-2-oxoethanimine oxide is sourced from PubChem (CID 10866311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).