(NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine

C8H8N2O2 — CID 135482632

IUPAC(NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(/C=N/O)cc1
InChIInChI=1S/C8H8N2O2/c11-9-5-7-1-2-8(4-3-7)6-10-12/h1-6,11-12H/b9-5+,10-6+
InChIKeyUFJKQCPYFKAUEO-NXZHAISVSA-N
MW164.16 g/mol
LogP1.30
Rot. Bonds2

About (NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine

(NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine (PubChem CID 135482632) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is (NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine
PubChem CID135482632
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name(NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine
SMILESO/N=C/c1ccc(/C=N/O)cc1
InChIInChI=1S/C8H8N2O2/c11-9-5-7-1-2-8(4-3-7)6-10-12/h1-6,11-12H/b9-5+,10-6+
InChIKeyUFJKQCPYFKAUEO-NXZHAISVSA-N
XLogP1.30
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine (CID 135482632) is (NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine is O/N=C/c1ccc(/C=N/O)cc1.
What is the InChIKey of (NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine?
The InChIKey is UFJKQCPYFKAUEO-NXZHAISVSA-N. The full InChI is InChI=1S/C8H8N2O2/c11-9-5-7-1-2-8(4-3-7)6-10-12/h1-6,11-12H/b9-5+,10-6+.
What are the key properties of (NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine?
(NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine has a molecular weight of 164.16 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[4-[(E)-hydroxyiminomethyl]phenyl]methylidene]hydroxylamine is sourced from PubChem (CID 135482632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).