(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine

C10H13NO2 — CID 6161397

IUPAC(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
SMILESCCOc1ccc(/C(C)=N\O)cc1
InChIInChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)8(2)11-12/h4-7,12H,3H2,1-2H3/b11-8-
InChIKeyUQVIBULMZQEKJP-FLIBITNWSA-N
MW179.22 g/mol
LogP2.28
Rot. Bonds3

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 CID6161397
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name(NZ)-N-[1-(4-ethoxyphenyl)ethylidene]hydroxylamine
SMILESCCOc1ccc(/C(C)=N\O)cc1
InChIInChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)8(2)11-12/h4-7,12H,3H2,1-2H3/b11-8-
InChIKeyUQVIBULMZQEKJP-FLIBITNWSA-N
XLogP2.28
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 52.28
H-Bond Donors ≤ 51
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 (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).