About (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine
(NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine (PubChem CID 136815583) has the molecular formula C10H10N4O2
and a molecular weight of 218.22 g/mol. Its IUPAC name is (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine.
Molecular Properties
| Compound Name | (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine |
| PubChem CID | 136815583 |
| Molecular Formula | C10H10N4O2 |
| Molecular Weight | 218.22 g/mol |
| Exact Mass | 218.08 |
| IUPAC Name | (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine |
| SMILES | O/N=C\C(/C=N\O)=N/N=C/c1ccccc1 |
| InChI | InChI=1S/C10H10N4O2/c15-12-7-10(8-13-16)14-11-6-9-4-2-1-3-5-9/h1-8,15-16H/b11-6+,12-7-,13-8- |
| InChIKey | BKRLUQZFRAVFBW-RIWOHVAGSA-N |
| XLogP | 1.38 |
| TPSA | 89.90 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 218.22 |
| LogP ≤ 5 | 1.38 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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 (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine (CID 136815583) is (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine is O/N=C\C(/C=N\O)=N/N=C/c1ccccc1.
What is the InChIKey of (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine?
The InChIKey is BKRLUQZFRAVFBW-RIWOHVAGSA-N. The full InChI is InChI=1S/C10H10N4O2/c15-12-7-10(8-13-16)14-11-6-9-4-2-1-3-5-9/h1-8,15-16H/b11-6+,12-7-,13-8-.
What are the key properties of (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine?
(NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine has a molecular weight of 218.22 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[(3Z)-2-[(E)-benzylidenehydrazinylidene]-3-hydroxyiminopropylidene]hydroxylamine is sourced from PubChem (CID 136815583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).