(Z)-benzyl-oxido-phenylmethoxyiminoazanium

C14H14N2O2 — CID 5333047

IUPAC(Z)-benzyl-oxido-phenylmethoxyiminoazanium
SMILESC1=CC=C(C=C1)C/[N+](=N/OCC2=CC=CC=C2)/[O-]
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-NXVVXOECSA-N
MW242.27 g/mol
LogP3.30
Rot. Bonds5

About (Z)-benzyl-oxido-phenylmethoxyiminoazanium

(Z)-benzyl-oxido-phenylmethoxyiminoazanium (PubChem CID 5333047) has the molecular formula C14H14N2O2 and a molecular weight of 242.27 g/mol. Its IUPAC name is (Z)-benzyl-oxido-phenylmethoxyiminoazanium.

Molecular Properties

Compound Name(Z)-benzyl-oxido-phenylmethoxyiminoazanium
PubChem CID5333047
Molecular FormulaC14H14N2O2
Molecular Weight242.27 g/mol
Exact Mass242.11
IUPAC Name(Z)-benzyl-oxido-phenylmethoxyiminoazanium
SMILESC1=CC=C(C=C1)C/[N+](=N/OCC2=CC=CC=C2)/[O-]
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-NXVVXOECSA-N
XLogP3.30
TPSA50.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity257

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.30
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'}

Analyze (Z)-benzyl-oxido-phenylmethoxyiminoazanium with MolForge

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

Launch Full Analysis

Related Compounds

Benzeneethanamine, N-(phenylmethoxy)-
CID 14545021
2,5-Diphenyl-2,5-dihydro-1,3,4-oxadiazole
CID 456811
N-Benzyl-N-(benzyloxy)nitrous amide
CID 10879302
N,O-Dibenzylhydroxylamine
CID 11063773
Methoxy benzyl azide
CID 11217423
Benzene, [azido(phenylmethoxy)methyl]-
CID 11287883
N,N,O-tribenzylhydroxylamine
CID 12045651
Nitrobenzylather
CID 22035196
Nitrobenzyl nitrate
CID 22161330
[Methoxy(nitroso)methyl]benzene
CID 53642879
N-benzyl-N-phenylmethoxypropan-2-amine
CID 134883639
(3aR,7aS)-1-(benzyloxy)-3a,4,5,6,7,7a-hexahydro-1H-benzo[d][1,2,3]triazole 2-oxide
CID 11900547

Frequently Asked Questions

What is the IUPAC name of (Z)-benzyl-oxido-phenylmethoxyiminoazanium?
The IUPAC name of (Z)-benzyl-oxido-phenylmethoxyiminoazanium (CID 5333047) is (Z)-benzyl-oxido-phenylmethoxyiminoazanium.
What is the SMILES notation for (Z)-benzyl-oxido-phenylmethoxyiminoazanium?
The canonical SMILES for (Z)-benzyl-oxido-phenylmethoxyiminoazanium is C1=CC=C(C=C1)C/[N+](=N/OCC2=CC=CC=C2)/[O-].
What is the InChIKey of (Z)-benzyl-oxido-phenylmethoxyiminoazanium?
The InChIKey is VWRKFQSSTPKRLE-NXVVXOECSA-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 (Z)-benzyl-oxido-phenylmethoxyiminoazanium?
(Z)-benzyl-oxido-phenylmethoxyiminoazanium has a molecular weight of 242.27 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-benzyl-oxido-phenylmethoxyiminoazanium is sourced from PubChem (CID 5333047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).