6-oxopyran-3-carbohydrazide

C6H6N2O3 — CID 130710971

IUPAC6-oxopyran-3-carbohydrazide
SMILESNNC(=O)c1ccc(=O)oc1
InChIInChI=1S/C6H6N2O3/c7-8-6(10)4-1-2-5(9)11-3-4/h1-3H,7H2,(H,8,10)
InChIKeyDDKIEZTZFMZQSB-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.76
Rot. Bonds1

About 6-oxopyran-3-carbohydrazide

6-oxopyran-3-carbohydrazide (PubChem CID 130710971) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 6-oxopyran-3-carbohydrazide.

Molecular Properties

Compound Name6-oxopyran-3-carbohydrazide
PubChem CID130710971
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name6-oxopyran-3-carbohydrazide
SMILESNNC(=O)c1ccc(=O)oc1
InChIInChI=1S/C6H6N2O3/c7-8-6(10)4-1-2-5(9)11-3-4/h1-3H,7H2,(H,8,10)
InChIKeyDDKIEZTZFMZQSB-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 6-oxopyran-3-carbohydrazide?
The IUPAC name of 6-oxopyran-3-carbohydrazide (CID 130710971) is 6-oxopyran-3-carbohydrazide.
What is the SMILES notation for 6-oxopyran-3-carbohydrazide?
The canonical SMILES for 6-oxopyran-3-carbohydrazide is NNC(=O)c1ccc(=O)oc1.
What is the InChIKey of 6-oxopyran-3-carbohydrazide?
The InChIKey is DDKIEZTZFMZQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c7-8-6(10)4-1-2-5(9)11-3-4/h1-3H,7H2,(H,8,10).
What are the key properties of 6-oxopyran-3-carbohydrazide?
6-oxopyran-3-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 6-oxopyran-3-carbohydrazide is sourced from PubChem (CID 130710971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).