About (NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine (PubChem CID 6161397) has the molecular formula C10H13NO2
and a molecular weight of 179.22 g/mol. Its IUPAC name is (NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine.
Molecular Properties
| Compound Name | (NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine |
| PubChem CID | 6161397 |
| Molecular Formula | C10H13NO2 |
| Molecular Weight | 179.22 g/mol |
| Exact Mass | 179.09 |
| IUPAC Name | (NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine |
| SMILES | CCOc1ccc(/C(C)=N\O)cc1 |
| InChI | InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)8(2)11-12/h4-7,12H,3H2,1-2H3/b11-8- |
| InChIKey | UQVIBULMZQEKJP-FLIBITNWSA-N |
| XLogP | 2.28 |
| TPSA | 41.82 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 179.22 |
| LogP ≤ 5 | 2.28 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine (CID 6161397) is (NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine is CCOc1ccc(/C(C)=N\O)cc1.
What is the InChIKey of (NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine?
The InChIKey is UQVIBULMZQEKJP-FLIBITNWSA-N. The full InChI is InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)8(2)11-12/h4-7,12H,3H2,1-2H3/b11-8-.
What are the key properties of (NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine?
(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine has a molecular weight of 179.22 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 6161397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).