6-oxocyclohexa-1,3-diene-1-carbohydrazide

C7H8N2O2 — CID 22507405

IUPAC6-oxocyclohexa-1,3-diene-1-carbohydrazide
SMILESNNC(=O)C1=CC=CCC1=O
InChIInChI=1S/C7H8N2O2/c8-9-7(11)5-3-1-2-4-6(5)10/h1-3H,4,8H2,(H,9,11)
InChIKeyCHTRXARADREYMR-UHFFFAOYSA-N
MW152.15 g/mol
LogP-0.57
Rot. Bonds1

About 6-oxocyclohexa-1,3-diene-1-carbohydrazide

6-oxocyclohexa-1,3-diene-1-carbohydrazide (PubChem CID 22507405) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is 6-oxocyclohexa-1,3-diene-1-carbohydrazide.

Molecular Properties

Compound Name6-oxocyclohexa-1,3-diene-1-carbohydrazide
PubChem CID22507405
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name6-oxocyclohexa-1,3-diene-1-carbohydrazide
SMILESNNC(=O)C1=CC=CCC1=O
InChIInChI=1S/C7H8N2O2/c8-9-7(11)5-3-1-2-4-6(5)10/h1-3H,4,8H2,(H,9,11)
InChIKeyCHTRXARADREYMR-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': 'Michael_acceptor_4', '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 6-oxocyclohexa-1,3-diene-1-carbohydrazide?
The IUPAC name of 6-oxocyclohexa-1,3-diene-1-carbohydrazide (CID 22507405) is 6-oxocyclohexa-1,3-diene-1-carbohydrazide.
What is the SMILES notation for 6-oxocyclohexa-1,3-diene-1-carbohydrazide?
The canonical SMILES for 6-oxocyclohexa-1,3-diene-1-carbohydrazide is NNC(=O)C1=CC=CCC1=O.
What is the InChIKey of 6-oxocyclohexa-1,3-diene-1-carbohydrazide?
The InChIKey is CHTRXARADREYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-9-7(11)5-3-1-2-4-6(5)10/h1-3H,4,8H2,(H,9,11).
What are the key properties of 6-oxocyclohexa-1,3-diene-1-carbohydrazide?
6-oxocyclohexa-1,3-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 6-oxocyclohexa-1,3-diene-1-carbohydrazide is sourced from PubChem (CID 22507405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).