N,2-dimethoxy-2-oxoethanimine oxide

C4H7NO4 — CID 134882957

IUPACN,2-dimethoxy-2-oxoethanimine oxide
SMILESCOC(=O)/C=[N+](\[O-])OC
InChIInChI=1S/C4H7NO4/c1-8-4(6)3-5(7)9-2/h3H,1-2H3/b5-3+
InChIKeyZMIAXGYFCRZOTH-HWKANZROSA-N
MW133.10 g/mol
LogP-0.70
Rot. Bonds2

About N,2-dimethoxy-2-oxoethanimine oxide

N,2-dimethoxy-2-oxoethanimine oxide (PubChem CID 134882957) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is N,2-dimethoxy-2-oxoethanimine oxide.

Molecular Properties

Compound NameN,2-dimethoxy-2-oxoethanimine oxide
PubChem CID134882957
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC NameN,2-dimethoxy-2-oxoethanimine oxide
SMILESCOC(=O)/C=[N+](\[O-])OC
InChIInChI=1S/C4H7NO4/c1-8-4(6)3-5(7)9-2/h3H,1-2H3/b5-3+
InChIKeyZMIAXGYFCRZOTH-HWKANZROSA-N
XLogP-0.70
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-0.70
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'}

Analyze N,2-dimethoxy-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 N,2-dimethoxy-2-oxoethanimine oxide?
The IUPAC name of N,2-dimethoxy-2-oxoethanimine oxide (CID 134882957) is N,2-dimethoxy-2-oxoethanimine oxide.
What is the SMILES notation for N,2-dimethoxy-2-oxoethanimine oxide?
The canonical SMILES for N,2-dimethoxy-2-oxoethanimine oxide is COC(=O)/C=[N+](\[O-])OC.
What is the InChIKey of N,2-dimethoxy-2-oxoethanimine oxide?
The InChIKey is ZMIAXGYFCRZOTH-HWKANZROSA-N. The full InChI is InChI=1S/C4H7NO4/c1-8-4(6)3-5(7)9-2/h3H,1-2H3/b5-3+.
What are the key properties of N,2-dimethoxy-2-oxoethanimine oxide?
N,2-dimethoxy-2-oxoethanimine oxide has a molecular weight of 133.10 g/mol, XLogP of -0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethoxy-2-oxoethanimine oxide is sourced from PubChem (CID 134882957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).