(E)-benzyl-oxido-phenylmethoxyiminoazanium

C14H14N2O2 — CID 5405690

IUPAC(E)-benzyl-oxido-phenylmethoxyiminoazanium
SMILES[O-]/[N+](Cc1ccccc1)=N/OCc1ccccc1
InChIInChI=1S/C14H14N2O2/c17-16(11-13-7-3-1-4-8-13)15-18-12-14-9-5-2-6-10-14/h1-10H,11-12H2/b16-15+
InChIKeyVWRKFQSSTPKRLE-FOCLMDBBSA-N
MW242.28 g/mol
LogP3.28
Rot. Bonds5

About (E)-benzyl-oxido-phenylmethoxyiminoazanium

(E)-benzyl-oxido-phenylmethoxyiminoazanium (PubChem CID 5405690) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (E)-benzyl-oxido-phenylmethoxyiminoazanium.

Molecular Properties

Compound Name(E)-benzyl-oxido-phenylmethoxyiminoazanium
PubChem CID5405690
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(E)-benzyl-oxido-phenylmethoxyiminoazanium
SMILES[O-]/[N+](Cc1ccccc1)=N/OCc1ccccc1
InChIInChI=1S/C14H14N2O2/c17-16(11-13-7-3-1-4-8-13)15-18-12-14-9-5-2-6-10-14/h1-10H,11-12H2/b16-15+
InChIKeyVWRKFQSSTPKRLE-FOCLMDBBSA-N
XLogP3.28
TPSA47.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 53.28
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-benzyl-oxido-phenylmethoxyiminoazanium?
The IUPAC name of (E)-benzyl-oxido-phenylmethoxyiminoazanium (CID 5405690) is (E)-benzyl-oxido-phenylmethoxyiminoazanium.
What is the SMILES notation for (E)-benzyl-oxido-phenylmethoxyiminoazanium?
The canonical SMILES for (E)-benzyl-oxido-phenylmethoxyiminoazanium is [O-]/[N+](Cc1ccccc1)=N/OCc1ccccc1.
What is the InChIKey of (E)-benzyl-oxido-phenylmethoxyiminoazanium?
The InChIKey is VWRKFQSSTPKRLE-FOCLMDBBSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-16(11-13-7-3-1-4-8-13)15-18-12-14-9-5-2-6-10-14/h1-10H,11-12H2/b16-15+.
What are the key properties of (E)-benzyl-oxido-phenylmethoxyiminoazanium?
(E)-benzyl-oxido-phenylmethoxyiminoazanium has a molecular weight of 242.28 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-benzyl-oxido-phenylmethoxyiminoazanium is sourced from PubChem (CID 5405690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).