4-oxocyclohexa-2,6-diene-1,2-dicarbohydrazide

C8H10N4O3 — CID 67099921

IUPAC4-oxocyclohexa-2,6-diene-1,2-dicarbohydrazide
SMILESNNC(=O)C1=CCC(=O)C=C1C(=O)NN
InChIInChI=1S/C8H10N4O3/c9-11-7(14)5-2-1-4(13)3-6(5)8(15)12-10/h2-3H,1,9-10H2,(H,11,14)(H,12,15)
InChIKeyATUFKTKEFRVHEH-UHFFFAOYSA-N
MW210.19 g/mol
LogP-2.21
Rot. Bonds2

About 4-oxocyclohexa-2,6-diene-1,2-dicarbohydrazide

4-oxocyclohexa-2,6-diene-1,2-dicarbohydrazide (PubChem CID 67099921) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 4-oxocyclohexa-2,6-diene-1,2-dicarbohydrazide.

Molecular Properties

Compound Name4-oxocyclohexa-2,6-diene-1,2-dicarbohydrazide
PubChem CID67099921
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name4-oxocyclohexa-2,6-diene-1,2-dicarbohydrazide
SMILESNNC(=O)C1=CCC(=O)C=C1C(=O)NN
InChIInChI=1S/C8H10N4O3/c9-11-7(14)5-2-1-4(13)3-6(5)8(15)12-10/h2-3H,1,9-10H2,(H,11,14)(H,12,15)
InChIKeyATUFKTKEFRVHEH-UHFFFAOYSA-N
XLogP-2.21
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-2.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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-oxocyclohexa-2,6-diene-1,2-dicarbohydrazide?
The IUPAC name of 4-oxocyclohexa-2,6-diene-1,2-dicarbohydrazide (CID 67099921) is 4-oxocyclohexa-2,6-diene-1,2-dicarbohydrazide.
What is the SMILES notation for 4-oxocyclohexa-2,6-diene-1,2-dicarbohydrazide?
The canonical SMILES for 4-oxocyclohexa-2,6-diene-1,2-dicarbohydrazide is NNC(=O)C1=CCC(=O)C=C1C(=O)NN.
What is the InChIKey of 4-oxocyclohexa-2,6-diene-1,2-dicarbohydrazide?
The InChIKey is ATUFKTKEFRVHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c9-11-7(14)5-2-1-4(13)3-6(5)8(15)12-10/h2-3H,1,9-10H2,(H,11,14)(H,12,15).
What are the key properties of 4-oxocyclohexa-2,6-diene-1,2-dicarbohydrazide?
4-oxocyclohexa-2,6-diene-1,2-dicarbohydrazide has a molecular weight of 210.19 g/mol, XLogP of -2.21, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxocyclohexa-2,6-diene-1,2-dicarbohydrazide is sourced from PubChem (CID 67099921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).