(Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium

C16H18N4O2 — CID 139184696

IUPAC(Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium
SMILESCN(C)/C(=N/[N+]([O-])=N/OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N4O2/c1-19(2)16(15-11-7-4-8-12-15)17-20(21)18-22-13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/b17-16+,20-18-
InChIKeyZIKRXHQZYWIKNK-ZGKINNLQSA-N
MW298.35 g/mol
LogP3.00
Rot. Bonds5

About (Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium

(Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium (PubChem CID 139184696) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is (Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium.

Molecular Properties

Compound Name(Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium
PubChem CID139184696
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name(Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium
SMILESCN(C)/C(=N/[N+]([O-])=N/OCc1ccccc1)c1ccccc1
InChIInChI=1S/C16H18N4O2/c1-19(2)16(15-11-7-4-8-12-15)17-20(21)18-22-13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/b17-16+,20-18-
InChIKeyZIKRXHQZYWIKNK-ZGKINNLQSA-N
XLogP3.00
TPSA63.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 (Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium?
The IUPAC name of (Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium (CID 139184696) is (Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium.
What is the SMILES notation for (Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium?
The canonical SMILES for (Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium is CN(C)/C(=N/[N+]([O-])=N/OCc1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium?
The InChIKey is ZIKRXHQZYWIKNK-ZGKINNLQSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-19(2)16(15-11-7-4-8-12-15)17-20(21)18-22-13-14-9-5-3-6-10-14/h3-12H,13H2,1-2H3/b17-16+,20-18-.
What are the key properties of (Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium?
(Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium has a molecular weight of 298.35 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[(E)-[dimethylamino(phenyl)methylidene]amino]-oxido-phenylmethoxyiminoazanium is sourced from PubChem (CID 139184696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).