imino-oxido-phenylmethoxyazanium

C7H8N2O2 — CID 174488318

IUPACimino-oxido-phenylmethoxyazanium
SMILES[H]/N=[N+](\[O-])OCc1ccccc1
InChIInChI=1S/C7H8N2O2/c8-9(10)11-6-7-4-2-1-3-5-7/h1-5,8H,6H2/b9-8+
InChIKeyFJVVHEZGLWHBIO-CMDGGOBGSA-N
MW152.15 g/mol
LogP1.66
Rot. Bonds3

About imino-oxido-phenylmethoxyazanium

imino-oxido-phenylmethoxyazanium (PubChem CID 174488318) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is imino-oxido-phenylmethoxyazanium.

Molecular Properties

Compound Nameimino-oxido-phenylmethoxyazanium
PubChem CID174488318
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Nameimino-oxido-phenylmethoxyazanium
SMILES[H]/N=[N+](\[O-])OCc1ccccc1
InChIInChI=1S/C7H8N2O2/c8-9(10)11-6-7-4-2-1-3-5-7/h1-5,8H,6H2/b9-8+
InChIKeyFJVVHEZGLWHBIO-CMDGGOBGSA-N
XLogP1.66
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.66
H-Bond Donors ≤ 51
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'}

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Related Compounds

benzyl nitrate;toluene
CID 175247849
phenylmethoxymethyl nitrate
CID 152715822
benzyl methanimidate
CID 10176165
phenylmethoxysulfanyloxymethylbenzene
CID 10634174
[chloro(nitro)phosphoryl]oxymethylbenzene
CID 174417021
CID 66734377
CID 66734377
hydroxy-imino-bis(phenylmethoxy)-λ5-phosphane
CID 57159517
benzyl-oxido-phenylmethoxyiminoazanium
CID 779659
phenylmethoxygallane
CID 173378988
phenylmethoxy-λ2-plumbane
CID 173082625
CID 68630458
CID 68630458
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of imino-oxido-phenylmethoxyazanium?
The IUPAC name of imino-oxido-phenylmethoxyazanium (CID 174488318) is imino-oxido-phenylmethoxyazanium.
What is the SMILES notation for imino-oxido-phenylmethoxyazanium?
The canonical SMILES for imino-oxido-phenylmethoxyazanium is [H]/N=[N+](\[O-])OCc1ccccc1.
What is the InChIKey of imino-oxido-phenylmethoxyazanium?
The InChIKey is FJVVHEZGLWHBIO-CMDGGOBGSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-9(10)11-6-7-4-2-1-3-5-7/h1-5,8H,6H2/b9-8+.
What are the key properties of imino-oxido-phenylmethoxyazanium?
imino-oxido-phenylmethoxyazanium has a molecular weight of 152.15 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for imino-oxido-phenylmethoxyazanium is sourced from PubChem (CID 174488318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).