4-hydrazinylidenecyclohexa-1,5-diene-1-carboxylic acid

C7H8N2O2 — CID 67791154

IUPAC4-hydrazinylidenecyclohexa-1,5-diene-1-carboxylic acid
SMILESNN=C1C=CC(C(=O)O)=CC1
InChIInChI=1S/C7H8N2O2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-3H,4,8H2,(H,10,11)
InChIKeyWGFNDZXLHTZERQ-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.27
Rot. Bonds1

About 4-hydrazinylidenecyclohexa-1,5-diene-1-carboxylic acid

4-hydrazinylidenecyclohexa-1,5-diene-1-carboxylic acid (PubChem CID 67791154) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-hydrazinylidenecyclohexa-1,5-diene-1-carboxylic acid.

Molecular Properties

Compound Name4-hydrazinylidenecyclohexa-1,5-diene-1-carboxylic acid
PubChem CID67791154
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name4-hydrazinylidenecyclohexa-1,5-diene-1-carboxylic acid
SMILESNN=C1C=CC(C(=O)O)=CC1
InChIInChI=1S/C7H8N2O2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-3H,4,8H2,(H,10,11)
InChIKeyWGFNDZXLHTZERQ-UHFFFAOYSA-N
XLogP0.27
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 4-hydrazinylidenecyclohexa-1,5-diene-1-carboxylic acid?
The IUPAC name of 4-hydrazinylidenecyclohexa-1,5-diene-1-carboxylic acid (CID 67791154) is 4-hydrazinylidenecyclohexa-1,5-diene-1-carboxylic acid.
What is the SMILES notation for 4-hydrazinylidenecyclohexa-1,5-diene-1-carboxylic acid?
The canonical SMILES for 4-hydrazinylidenecyclohexa-1,5-diene-1-carboxylic acid is NN=C1C=CC(C(=O)O)=CC1.
What is the InChIKey of 4-hydrazinylidenecyclohexa-1,5-diene-1-carboxylic acid?
The InChIKey is WGFNDZXLHTZERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-3H,4,8H2,(H,10,11).
What are the key properties of 4-hydrazinylidenecyclohexa-1,5-diene-1-carboxylic acid?
4-hydrazinylidenecyclohexa-1,5-diene-1-carboxylic acid has a molecular weight of 152.15 g/mol, XLogP of 0.27, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinylidenecyclohexa-1,5-diene-1-carboxylic acid is sourced from PubChem (CID 67791154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).