(NE)-N-(2-iminoethylidene)hydroxylamine

C2H4N2O — CID 137207430

IUPAC(NE)-N-(2-iminoethylidene)hydroxylamine
SMILES[H]/N=C/C=N/O
InChIInChI=1S/C2H4N2O/c3-1-2-4-5/h1-3,5H/b3-1+,4-2+
InChIKeyXVPNQHWBHRGHBN-ZPUQHVIOSA-N
MW72.07 g/mol
LogP0.10
Rot. Bonds1

About (NE)-N-(2-iminoethylidene)hydroxylamine

(NE)-N-(2-iminoethylidene)hydroxylamine (PubChem CID 137207430) has the molecular formula C2H4N2O and a molecular weight of 72.07 g/mol. Its IUPAC name is (NE)-N-(2-iminoethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(2-iminoethylidene)hydroxylamine
PubChem CID137207430
Molecular FormulaC2H4N2O
Molecular Weight72.07 g/mol
Exact Mass72.03
IUPAC Name(NE)-N-(2-iminoethylidene)hydroxylamine
SMILES[H]/N=C/C=N/O
InChIInChI=1S/C2H4N2O/c3-1-2-4-5/h1-3,5H/b3-1+,4-2+
InChIKeyXVPNQHWBHRGHBN-ZPUQHVIOSA-N
XLogP0.10
TPSA56.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50072.07
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-(2-iminoethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(2-iminoethylidene)hydroxylamine (CID 137207430) is (NE)-N-(2-iminoethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(2-iminoethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(2-iminoethylidene)hydroxylamine is [H]/N=C/C=N/O.
What is the InChIKey of (NE)-N-(2-iminoethylidene)hydroxylamine?
The InChIKey is XVPNQHWBHRGHBN-ZPUQHVIOSA-N. The full InChI is InChI=1S/C2H4N2O/c3-1-2-4-5/h1-3,5H/b3-1+,4-2+.
What are the key properties of (NE)-N-(2-iminoethylidene)hydroxylamine?
(NE)-N-(2-iminoethylidene)hydroxylamine has a molecular weight of 72.07 g/mol, XLogP of 0.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(2-iminoethylidene)hydroxylamine is sourced from PubChem (CID 137207430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).