(Z)-hydroxyimino-oxido-phenylazanium

C6H6N2O2 — CID 135418564

IUPAC(Z)-hydroxyimino-oxido-phenylazanium
SMILES[O-]/[N+](=N\O)c1ccccc1
InChIInChI=1S/C6H6N2O2/c9-7-8(10)6-4-2-1-3-5-6/h1-5,9H/b8-7-
InChIKeyPTPLXVHPKMTVIW-FPLPWBNLSA-N
MW138.13 g/mol
LogP1.67
Rot. Bonds1

About (Z)-hydroxyimino-oxido-phenylazanium

(Z)-hydroxyimino-oxido-phenylazanium (PubChem CID 135418564) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is (Z)-hydroxyimino-oxido-phenylazanium.

Molecular Properties

Compound Name(Z)-hydroxyimino-oxido-phenylazanium
PubChem CID135418564
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name(Z)-hydroxyimino-oxido-phenylazanium
SMILES[O-]/[N+](=N\O)c1ccccc1
InChIInChI=1S/C6H6N2O2/c9-7-8(10)6-4-2-1-3-5-6/h1-5,9H/b8-7-
InChIKeyPTPLXVHPKMTVIW-FPLPWBNLSA-N
XLogP1.67
TPSA58.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (Z)-hydroxyimino-oxido-phenylazanium?
The IUPAC name of (Z)-hydroxyimino-oxido-phenylazanium (CID 135418564) is (Z)-hydroxyimino-oxido-phenylazanium.
What is the SMILES notation for (Z)-hydroxyimino-oxido-phenylazanium?
The canonical SMILES for (Z)-hydroxyimino-oxido-phenylazanium is [O-]/[N+](=N\O)c1ccccc1.
What is the InChIKey of (Z)-hydroxyimino-oxido-phenylazanium?
The InChIKey is PTPLXVHPKMTVIW-FPLPWBNLSA-N. The full InChI is InChI=1S/C6H6N2O2/c9-7-8(10)6-4-2-1-3-5-6/h1-5,9H/b8-7-.
What are the key properties of (Z)-hydroxyimino-oxido-phenylazanium?
(Z)-hydroxyimino-oxido-phenylazanium has a molecular weight of 138.13 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hydroxyimino-oxido-phenylazanium is sourced from PubChem (CID 135418564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).