(NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine

C14H12N2O2 — CID 135405330

IUPAC(NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine
SMILESO/N=C(C(=N/O)/c1ccccc1)\c1ccccc1
InChIInChI=1S/C14H12N2O2/c17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12/h1-10,17-18H/b15-13+,16-14+
InChIKeyJJZONEUCDUQVGR-WXUKJITCSA-N
MW240.26 g/mol
LogP2.74
Rot. Bonds3

About (NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine

(NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine (PubChem CID 135405330) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is (NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine
PubChem CID135405330
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name(NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine
SMILESO/N=C(C(=N/O)/c1ccccc1)\c1ccccc1
InChIInChI=1S/C14H12N2O2/c17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12/h1-10,17-18H/b15-13+,16-14+
InChIKeyJJZONEUCDUQVGR-WXUKJITCSA-N
XLogP2.74
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine (CID 135405330) is (NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine is O/N=C(C(=N/O)/c1ccccc1)\c1ccccc1.
What is the InChIKey of (NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine?
The InChIKey is JJZONEUCDUQVGR-WXUKJITCSA-N. The full InChI is InChI=1S/C14H12N2O2/c17-15-13(11-7-3-1-4-8-11)14(16-18)12-9-5-2-6-10-12/h1-10,17-18H/b15-13+,16-14+.
What are the key properties of (NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine?
(NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine has a molecular weight of 240.26 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2E)-2-hydroxyimino-1,2-diphenylethylidene]hydroxylamine is sourced from PubChem (CID 135405330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).