(NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine

C2H4N2O2 — CID 135409852

IUPAC(NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine
SMILESO/N=C/C=N/O
InChIInChI=1S/C2H4N2O2/c5-3-1-2-4-6/h1-2,5-6H/b3-1+,4-2+
InChIKeyLJHFIVQEAFAURQ-ZPUQHVIOSA-N
MW88.07 g/mol
LogP-0.09
Rot. Bonds1

About (NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine

(NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine (PubChem CID 135409852) has the molecular formula C2H4N2O2 and a molecular weight of 88.07 g/mol. Its IUPAC name is (NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine
PubChem CID135409852
Molecular FormulaC2H4N2O2
Molecular Weight88.07 g/mol
Exact Mass88.03
IUPAC Name(NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine
SMILESO/N=C/C=N/O
InChIInChI=1S/C2H4N2O2/c5-3-1-2-4-6/h1-2,5-6H/b3-1+,4-2+
InChIKeyLJHFIVQEAFAURQ-ZPUQHVIOSA-N
XLogP-0.09
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.07
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine with MolForge

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

Launch Full Analysis

Related Compounds

Aldoxime
CID 7863
Acetaldehyde oxime, (1E)-
CID 5324279
Glyoxime
CID 135495951
(Z)-acetaldehyde oxime
CID 5324280
aci-Nitroathan
CID 3082245
Ethylnitronate ylide
CID 6852034
(NE)-N-[(3E)-3-hydroxyiminopropylidene]hydroxylamine
CID 12331699
Malonoaldehyde-dioxime
CID 129706634
Ethanedial, dioxime
CID 135431244
(NZ)-N-[(2Z)-2-hydroxyiminoethylidene]hydroxylamine
CID 135580753
(1E,2Z)-N-hydroxy-2-hydroxyiminoethanimidoyl fluoride
CID 136483142
N-hydroxy-2-hydroxyiminoethanimidoyl fluoride
CID 136483143

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine (CID 135409852) is (NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine is O/N=C/C=N/O.
What is the InChIKey of (NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine?
The InChIKey is LJHFIVQEAFAURQ-ZPUQHVIOSA-N. The full InChI is InChI=1S/C2H4N2O2/c5-3-1-2-4-6/h1-2,5-6H/b3-1+,4-2+.
What are the key properties of (NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine?
(NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine has a molecular weight of 88.07 g/mol, XLogP of -0.09, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2E)-2-hydroxyiminoethylidene]hydroxylamine is sourced from PubChem (CID 135409852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).