(NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine

C9H11NO2 — CID 6904186

IUPAC(NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1ccc(/C=N/O)cc1
InChIInChI=1S/C9H11NO2/c1-2-12-9-5-3-8(4-6-9)7-10-11/h3-7,11H,2H2,1H3/b10-7+
InChIKeyRVWVABYZHRUUEC-JXMROGBWSA-N
MW165.19 g/mol
LogP1.89
Rot. Bonds3

About (NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine

(NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine (PubChem CID 6904186) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine
PubChem CID6904186
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine
SMILESCCOc1ccc(/C=N/O)cc1
InChIInChI=1S/C9H11NO2/c1-2-12-9-5-3-8(4-6-9)7-10-11/h3-7,11H,2H2,1H3/b10-7+
InChIKeyRVWVABYZHRUUEC-JXMROGBWSA-N
XLogP1.89
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.89
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 (NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine (CID 6904186) is (NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine is CCOc1ccc(/C=N/O)cc1.
What is the InChIKey of (NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine?
The InChIKey is RVWVABYZHRUUEC-JXMROGBWSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-12-9-5-3-8(4-6-9)7-10-11/h3-7,11H,2H2,1H3/b10-7+.
What are the key properties of (NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine?
(NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine has a molecular weight of 165.19 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-ethoxyphenyl)methylidene]hydroxylamine is sourced from PubChem (CID 6904186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).