2-oxopyran-4-carbohydrazide

C6H6N2O3 — CID 91534746

IUPAC2-oxopyran-4-carbohydrazide
SMILESNNC(=O)c1ccoc(=O)c1
InChIInChI=1S/C6H6N2O3/c7-8-6(10)4-1-2-11-5(9)3-4/h1-3H,7H2,(H,8,10)
InChIKeyIXFCNCRLYYOQIS-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.76
Rot. Bonds1

About 2-oxopyran-4-carbohydrazide

2-oxopyran-4-carbohydrazide (PubChem CID 91534746) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2-oxopyran-4-carbohydrazide.

Molecular Properties

Compound Name2-oxopyran-4-carbohydrazide
PubChem CID91534746
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name2-oxopyran-4-carbohydrazide
SMILESNNC(=O)c1ccoc(=O)c1
InChIInChI=1S/C6H6N2O3/c7-8-6(10)4-1-2-11-5(9)3-4/h1-3H,7H2,(H,8,10)
InChIKeyIXFCNCRLYYOQIS-UHFFFAOYSA-N
XLogP-0.76
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-oxopyran-4-carbohydrazide?
The IUPAC name of 2-oxopyran-4-carbohydrazide (CID 91534746) is 2-oxopyran-4-carbohydrazide.
What is the SMILES notation for 2-oxopyran-4-carbohydrazide?
The canonical SMILES for 2-oxopyran-4-carbohydrazide is NNC(=O)c1ccoc(=O)c1.
What is the InChIKey of 2-oxopyran-4-carbohydrazide?
The InChIKey is IXFCNCRLYYOQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c7-8-6(10)4-1-2-11-5(9)3-4/h1-3H,7H2,(H,8,10).
What are the key properties of 2-oxopyran-4-carbohydrazide?
2-oxopyran-4-carbohydrazide has a molecular weight of 154.12 g/mol, XLogP of -0.76, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopyran-4-carbohydrazide is sourced from PubChem (CID 91534746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).