4-ethylidene-2-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid

C9H12N2O2 — CID 174383875

IUPAC4-ethylidene-2-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid
SMILESCC=C1C=CC(C(=O)O)=C(NN)C1
InChIInChI=1S/C9H12N2O2/c1-2-6-3-4-7(9(12)13)8(5-6)11-10/h2-4,11H,5,10H2,1H3,(H,12,13)
InChIKeyDBNYMLWGUPVSNM-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.69
Rot. Bonds2

About 4-ethylidene-2-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid

4-ethylidene-2-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid (PubChem CID 174383875) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 4-ethylidene-2-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid.

Molecular Properties

Compound Name4-ethylidene-2-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid
PubChem CID174383875
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name4-ethylidene-2-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid
SMILESCC=C1C=CC(C(=O)O)=C(NN)C1
InChIInChI=1S/C9H12N2O2/c1-2-6-3-4-7(9(12)13)8(5-6)11-10/h2-4,11H,5,10H2,1H3,(H,12,13)
InChIKeyDBNYMLWGUPVSNM-UHFFFAOYSA-N
XLogP0.69
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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-ethylidene-2-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid?
The IUPAC name of 4-ethylidene-2-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid (CID 174383875) is 4-ethylidene-2-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid.
What is the SMILES notation for 4-ethylidene-2-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid?
The canonical SMILES for 4-ethylidene-2-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid is CC=C1C=CC(C(=O)O)=C(NN)C1.
What is the InChIKey of 4-ethylidene-2-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid?
The InChIKey is DBNYMLWGUPVSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-2-6-3-4-7(9(12)13)8(5-6)11-10/h2-4,11H,5,10H2,1H3,(H,12,13).
What are the key properties of 4-ethylidene-2-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid?
4-ethylidene-2-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid has a molecular weight of 180.21 g/mol, XLogP of 0.69, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylidene-2-hydrazinylcyclohexa-1,5-diene-1-carboxylic acid is sourced from PubChem (CID 174383875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).