N-oxidoethanimine

C2H4NO- — CID 13311598

IUPACN-oxidoethanimine
SMILESC/C=N/[O-]
InChIInChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/p-1/b3-2+
InChIKeyFZENGILVLUJGJX-NSCUHMNNSA-M
MW58.06 g/mol
LogP0.57
Rot. Bonds

About N-oxidoethanimine

N-oxidoethanimine (PubChem CID 13311598) has the molecular formula C2H4NO- and a molecular weight of 58.06 g/mol. Its IUPAC name is N-oxidoethanimine.

Molecular Properties

Compound NameN-oxidoethanimine
PubChem CID13311598
Molecular FormulaC2H4NO-
Molecular Weight58.06 g/mol
Exact Mass58.03
IUPAC NameN-oxidoethanimine
SMILESC/C=N/[O-]
InChIInChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/p-1/b3-2+
InChIKeyFZENGILVLUJGJX-NSCUHMNNSA-M
XLogP0.57
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50058.06
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-oxidoethanimine 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-oxidoethanimine?
The IUPAC name of N-oxidoethanimine (CID 13311598) is N-oxidoethanimine.
What is the SMILES notation for N-oxidoethanimine?
The canonical SMILES for N-oxidoethanimine is C/C=N/[O-].
What is the InChIKey of N-oxidoethanimine?
The InChIKey is FZENGILVLUJGJX-NSCUHMNNSA-M. The full InChI is InChI=1S/C2H5NO/c1-2-3-4/h2,4H,1H3/p-1/b3-2+.
What are the key properties of N-oxidoethanimine?
N-oxidoethanimine has a molecular weight of 58.06 g/mol, XLogP of 0.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxidoethanimine is sourced from PubChem (CID 13311598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).