(2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid

C8H9N3O2 — CID 6188221

IUPAC(2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid
SMILESN/N=C(\C(=O)O)c1ccccc1N
InChIInChI=1S/C8H9N3O2/c9-6-4-2-1-3-5(6)7(11-10)8(12)13/h1-4H,9-10H2,(H,12,13)/b11-7-
InChIKeyHMAMLTVRTZWGEQ-XFFZJAGNSA-N
MW179.18 g/mol
LogP0.02
Rot. Bonds2

About (2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid

(2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid (PubChem CID 6188221) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is (2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid.

Molecular Properties

Compound Name(2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid
PubChem CID6188221
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name(2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid
SMILESN/N=C(\C(=O)O)c1ccccc1N
InChIInChI=1S/C8H9N3O2/c9-6-4-2-1-3-5(6)7(11-10)8(12)13/h1-4H,9-10H2,(H,12,13)/b11-7-
InChIKeyHMAMLTVRTZWGEQ-XFFZJAGNSA-N
XLogP0.02
TPSA101.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid?
The IUPAC name of (2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid (CID 6188221) is (2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid.
What is the SMILES notation for (2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid?
The canonical SMILES for (2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid is N/N=C(\C(=O)O)c1ccccc1N.
What is the InChIKey of (2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid?
The InChIKey is HMAMLTVRTZWGEQ-XFFZJAGNSA-N. The full InChI is InChI=1S/C8H9N3O2/c9-6-4-2-1-3-5(6)7(11-10)8(12)13/h1-4H,9-10H2,(H,12,13)/b11-7-.
What are the key properties of (2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid?
(2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid has a molecular weight of 179.18 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(2-aminophenyl)-2-hydrazinylideneacetic acid is sourced from PubChem (CID 6188221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).