2-oxocyclohexane-1-carbohydrazide

C7H12N2O2 — CID 45084441

IUPAC2-oxocyclohexane-1-carbohydrazide
SMILESNNC(=O)C1CCCCC1=O
InChIInChI=1S/C7H12N2O2/c8-9-7(11)5-3-1-2-4-6(5)10/h5H,1-4,8H2,(H,9,11)
InChIKeyCUADLULQZLHYSG-UHFFFAOYSA-N
MW156.18 g/mol
LogP-0.26
Rot. Bonds1

About 2-oxocyclohexane-1-carbohydrazide

2-oxocyclohexane-1-carbohydrazide (PubChem CID 45084441) has the molecular formula C7H12N2O2 and a molecular weight of 156.18 g/mol. Its IUPAC name is 2-oxocyclohexane-1-carbohydrazide.

Molecular Properties

Compound Name2-oxocyclohexane-1-carbohydrazide
PubChem CID45084441
Molecular FormulaC7H12N2O2
Molecular Weight156.18 g/mol
Exact Mass156.09
IUPAC Name2-oxocyclohexane-1-carbohydrazide
SMILESNNC(=O)C1CCCCC1=O
InChIInChI=1S/C7H12N2O2/c8-9-7(11)5-3-1-2-4-6(5)10/h5H,1-4,8H2,(H,9,11)
InChIKeyCUADLULQZLHYSG-UHFFFAOYSA-N
XLogP-0.26
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', '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 2-oxocyclohexane-1-carbohydrazide?
The IUPAC name of 2-oxocyclohexane-1-carbohydrazide (CID 45084441) is 2-oxocyclohexane-1-carbohydrazide.
What is the SMILES notation for 2-oxocyclohexane-1-carbohydrazide?
The canonical SMILES for 2-oxocyclohexane-1-carbohydrazide is NNC(=O)C1CCCCC1=O.
What is the InChIKey of 2-oxocyclohexane-1-carbohydrazide?
The InChIKey is CUADLULQZLHYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2/c8-9-7(11)5-3-1-2-4-6(5)10/h5H,1-4,8H2,(H,9,11).
What are the key properties of 2-oxocyclohexane-1-carbohydrazide?
2-oxocyclohexane-1-carbohydrazide has a molecular weight of 156.18 g/mol, XLogP of -0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxocyclohexane-1-carbohydrazide is sourced from PubChem (CID 45084441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).