4-oxocyclohexa-1,5-diene-1-carbohydrazide

C7H8N2O2 — CID 22993290

IUPAC4-oxocyclohexa-1,5-diene-1-carbohydrazide
SMILESNNC(=O)C1=CCC(=O)C=C1
InChIInChI=1S/C7H8N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-3H,4,8H2,(H,9,11)
InChIKeyUKKRNQOZAXRHGJ-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.57
Rot. Bonds1

About 4-oxocyclohexa-1,5-diene-1-carbohydrazide

4-oxocyclohexa-1,5-diene-1-carbohydrazide (PubChem CID 22993290) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 4-oxocyclohexa-1,5-diene-1-carbohydrazide.

Molecular Properties

Compound Name4-oxocyclohexa-1,5-diene-1-carbohydrazide
PubChem CID22993290
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name4-oxocyclohexa-1,5-diene-1-carbohydrazide
SMILESNNC(=O)C1=CCC(=O)C=C1
InChIInChI=1S/C7H8N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-3H,4,8H2,(H,9,11)
InChIKeyUKKRNQOZAXRHGJ-UHFFFAOYSA-N
XLogP-0.57
TPSA72.19 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 ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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Related Compounds

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CID 23335485
4-Fluorocyclohexa-1,5-diene-1-carbohydrazide
CID 143791470
6-Oxocyclohexa-1,3-diene-1-carbohydrazide
CID 22507405
Benzohydrazide;yttrium
CID 57824424
4-Oxocyclohexa-2,6-diene-1,2-dicarbohydrazide
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4-Methylidenecyclohexa-1,5-diene-1-carbohydrazide
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4-Prop-2-enyl-1,2-dihydropyridazine-3,6-dione
CID 69122748
5-methyl-N'-(5-methyl-4-oxocyclohexa-1,5-diene-1-carbonyl)-4-oxocyclohexa-1,5-diene-1-carbohydrazide
CID 70406128
(2Z)-4-methylpenta-2,4-dienehydrazide
CID 89320031
(2E)-2-ethenylpenta-2,4-dienehydrazide
CID 124087833
(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienehydrazide
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(Z,2E)-2-ethylidenehex-3-enehydrazide
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Frequently Asked Questions

What is the IUPAC name of 4-oxocyclohexa-1,5-diene-1-carbohydrazide?
The IUPAC name of 4-oxocyclohexa-1,5-diene-1-carbohydrazide (CID 22993290) is 4-oxocyclohexa-1,5-diene-1-carbohydrazide.
What is the SMILES notation for 4-oxocyclohexa-1,5-diene-1-carbohydrazide?
The canonical SMILES for 4-oxocyclohexa-1,5-diene-1-carbohydrazide is NNC(=O)C1=CCC(=O)C=C1.
What is the InChIKey of 4-oxocyclohexa-1,5-diene-1-carbohydrazide?
The InChIKey is UKKRNQOZAXRHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-9-7(11)5-1-3-6(10)4-2-5/h1-3H,4,8H2,(H,9,11).
What are the key properties of 4-oxocyclohexa-1,5-diene-1-carbohydrazide?
4-oxocyclohexa-1,5-diene-1-carbohydrazide has a molecular weight of 152.15 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxocyclohexa-1,5-diene-1-carbohydrazide is sourced from PubChem (CID 22993290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).