(NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine

C16H14N4O2 — CID 136643584

IUPAC(NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine
SMILESO/N=C(\C=N\N=C\C(=N\O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4O2/c21-19-15(13-7-3-1-4-8-13)11-17-18-12-16(20-22)14-9-5-2-6-10-14/h1-12,21-22H/b17-11+,18-12+,19-15-,20-16+
InChIKeyGXVYEOGDFWASBX-UNJCYEQISA-N
MW294.31 g/mol
LogP2.80
Rot. Bonds5

About (NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine

(NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine (PubChem CID 136643584) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is (NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine
PubChem CID136643584
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Name(NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine
SMILESO/N=C(\C=N\N=C\C(=N\O)c1ccccc1)c1ccccc1
InChIInChI=1S/C16H14N4O2/c21-19-15(13-7-3-1-4-8-13)11-17-18-12-16(20-22)14-9-5-2-6-10-14/h1-12,21-22H/b17-11+,18-12+,19-15-,20-16+
InChIKeyGXVYEOGDFWASBX-UNJCYEQISA-N
XLogP2.80
TPSA89.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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Related Compounds

(NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine
CID 12637249
magnesium;(NE)-N-(1-phenylethylidene)hydroxylamine;bromide
CID 134890820
(NZ)-N-(2,2-difluoro-1-phenylethylidene)hydroxylamine
CID 22769392
copper N-methyl-N'-[(E)-[(2E)-2-[(Z)-[methylamino(sulfido)methylidene]hydrazinylidene]-1-phenylethylidene]amino]carbamimidothioate
CID 142539464
(NZ)-N-[(E)-3-(3,4-difluorophenyl)-1-phenylprop-2-enylidene]hydroxylamine
CID 102334579
N'-hydroxybenzenecarboximidamide
CID 142861747
(NZ)-N-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]hydroxylamine
CID 102079705
(NZ)-N-[(Z)-4,4,4-trifluoro-1-(4-methylphenyl)-3-phenylbut-2-enylidene]hydroxylamine
CID 59364072
azane;2-hydroxyimino-1-phenylethanone
CID 172864672
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
sodium N-hydroxybenzenecarboximidate
CID 141386787
N'-hydroxybenzenecarboximidamide;pentahydrate
CID 174367022

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine (CID 136643584) is (NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine is O/N=C(\C=N\N=C\C(=N\O)c1ccccc1)c1ccccc1.
What is the InChIKey of (NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine?
The InChIKey is GXVYEOGDFWASBX-UNJCYEQISA-N. The full InChI is InChI=1S/C16H14N4O2/c21-19-15(13-7-3-1-4-8-13)11-17-18-12-16(20-22)14-9-5-2-6-10-14/h1-12,21-22H/b17-11+,18-12+,19-15-,20-16+.
What are the key properties of (NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine?
(NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine has a molecular weight of 294.31 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2E)-2-[(E)-[(2Z)-2-hydroxyimino-2-phenylethylidene]hydrazinylidene]-1-phenylethylidene]hydroxylamine is sourced from PubChem (CID 136643584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).