[(4-carbamoylphenyl)hydrazinylidene]-methyl-oxidoazanium

C8H10N4O2 — CID 136727714

IUPAC[(4-carbamoylphenyl)hydrazinylidene]-methyl-oxidoazanium
SMILESC[N+]([O-])=NNc1ccc(C(N)=O)cc1
InChIInChI=1S/C8H10N4O2/c1-12(14)11-10-7-4-2-6(3-5-7)8(9)13/h2-5,10H,1H3,(H2,9,13)
InChIKeyAZNMOQPNGHBAPI-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.70
Rot. Bonds3

About [(4-carbamoylphenyl)hydrazinylidene]-methyl-oxidoazanium

[(4-carbamoylphenyl)hydrazinylidene]-methyl-oxidoazanium (PubChem CID 136727714) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is [(4-carbamoylphenyl)hydrazinylidene]-methyl-oxidoazanium.

Molecular Properties

Compound Name[(4-carbamoylphenyl)hydrazinylidene]-methyl-oxidoazanium
PubChem CID136727714
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC Name[(4-carbamoylphenyl)hydrazinylidene]-methyl-oxidoazanium
SMILESC[N+]([O-])=NNc1ccc(C(N)=O)cc1
InChIInChI=1S/C8H10N4O2/c1-12(14)11-10-7-4-2-6(3-5-7)8(9)13/h2-5,10H,1H3,(H2,9,13)
InChIKeyAZNMOQPNGHBAPI-UHFFFAOYSA-N
XLogP0.70
TPSA93.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.70
H-Bond Donors ≤ 52
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 [(4-carbamoylphenyl)hydrazinylidene]-methyl-oxidoazanium?
The IUPAC name of [(4-carbamoylphenyl)hydrazinylidene]-methyl-oxidoazanium (CID 136727714) is [(4-carbamoylphenyl)hydrazinylidene]-methyl-oxidoazanium.
What is the SMILES notation for [(4-carbamoylphenyl)hydrazinylidene]-methyl-oxidoazanium?
The canonical SMILES for [(4-carbamoylphenyl)hydrazinylidene]-methyl-oxidoazanium is C[N+]([O-])=NNc1ccc(C(N)=O)cc1.
What is the InChIKey of [(4-carbamoylphenyl)hydrazinylidene]-methyl-oxidoazanium?
The InChIKey is AZNMOQPNGHBAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-12(14)11-10-7-4-2-6(3-5-7)8(9)13/h2-5,10H,1H3,(H2,9,13).
What are the key properties of [(4-carbamoylphenyl)hydrazinylidene]-methyl-oxidoazanium?
[(4-carbamoylphenyl)hydrazinylidene]-methyl-oxidoazanium has a molecular weight of 194.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-carbamoylphenyl)hydrazinylidene]-methyl-oxidoazanium is sourced from PubChem (CID 136727714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).