[carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium

C9H11N4O2+ — CID 69483709

IUPAC[carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium
SMILESCC(c1ccccc1)N(N=[N+]=N)C(=O)O
InChIInChI=1S/C9H10N4O2/c1-7(8-5-3-2-4-6-8)13(9(14)15)12-11-10/h2-7,10H,1H3/p+1
InChIKeyKPQYTDRPQWZGAL-UHFFFAOYSA-O
MW207.21 g/mol
LogP2.19
Rot. Bonds3

About [carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium

[carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium (PubChem CID 69483709) has the molecular formula C9H11N4O2+ and a molecular weight of 207.21 g/mol. Its IUPAC name is [carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium.

Molecular Properties

Compound Name[carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium
PubChem CID69483709
Molecular FormulaC9H11N4O2+
Molecular Weight207.21 g/mol
Exact Mass207.09
IUPAC Name[carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium
SMILESCC(c1ccccc1)N(N=[N+]=N)C(=O)O
InChIInChI=1S/C9H10N4O2/c1-7(8-5-3-2-4-6-8)13(9(14)15)12-11-10/h2-7,10H,1H3/p+1
InChIKeyKPQYTDRPQWZGAL-UHFFFAOYSA-O
XLogP2.19
TPSA90.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 52.19
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_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium?
The IUPAC name of [carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium (CID 69483709) is [carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium.
What is the SMILES notation for [carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium?
The canonical SMILES for [carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium is CC(c1ccccc1)N(N=[N+]=N)C(=O)O.
What is the InChIKey of [carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium?
The InChIKey is KPQYTDRPQWZGAL-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H10N4O2/c1-7(8-5-3-2-4-6-8)13(9(14)15)12-11-10/h2-7,10H,1H3/p+1.
What are the key properties of [carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium?
[carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium has a molecular weight of 207.21 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [carboxy(1-phenylethyl)hydrazinylidene]-iminoazanium is sourced from PubChem (CID 69483709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).