(NE)-N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine

C9H11NO2 — CID 5397262

IUPAC(NE)-N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine
SMILESCOc1ccc(/C(C)=N/O)cc1
InChIInChI=1S/C9H11NO2/c1-7(10-11)8-3-5-9(12-2)6-4-8/h3-6,11H,1-2H3/b10-7+
InChIKeyXXOHMWCSTKXDLH-JXMROGBWSA-N
MW165.19 g/mol
LogP1.89
Rot. Bonds2

About (NE)-N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine

(NE)-N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine (PubChem CID 5397262) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is (NE)-N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine
PubChem CID5397262
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name(NE)-N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine
SMILESCOc1ccc(/C(C)=N/O)cc1
InChIInChI=1S/C9H11NO2/c1-7(10-11)8-3-5-9(12-2)6-4-8/h3-6,11H,1-2H3/b10-7+
InChIKeyXXOHMWCSTKXDLH-JXMROGBWSA-N
XLogP1.89
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-[1-(4-methoxyphenyl)ethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine (CID 5397262) is (NE)-N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine is COc1ccc(/C(C)=N/O)cc1.
What is the InChIKey of (NE)-N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine?
The InChIKey is XXOHMWCSTKXDLH-JXMROGBWSA-N. The full InChI is InChI=1S/C9H11NO2/c1-7(10-11)8-3-5-9(12-2)6-4-8/h3-6,11H,1-2H3/b10-7+.
What are the key properties of (NE)-N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine?
(NE)-N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine has a molecular weight of 165.19 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-(4-methoxyphenyl)ethylidene]hydroxylamine is sourced from PubChem (CID 5397262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).