4,5-dimethylfuran-2-carbohydrazide

C7H10N2O2 — CID 45122699

IUPAC4,5-dimethylfuran-2-carbohydrazide
SMILESCc1cc(C(=O)NN)oc1C
InChIInChI=1S/C7H10N2O2/c1-4-3-6(7(10)9-8)11-5(4)2/h3H,8H2,1-2H3,(H,9,10)
InChIKeyNNFGGXKPJSXIRT-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.50
Rot. Bonds1

About 4,5-dimethylfuran-2-carbohydrazide

4,5-dimethylfuran-2-carbohydrazide (PubChem CID 45122699) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 4,5-dimethylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4,5-dimethylfuran-2-carbohydrazide
PubChem CID45122699
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name4,5-dimethylfuran-2-carbohydrazide
SMILESCc1cc(C(=O)NN)oc1C
InChIInChI=1S/C7H10N2O2/c1-4-3-6(7(10)9-8)11-5(4)2/h3H,8H2,1-2H3,(H,9,10)
InChIKeyNNFGGXKPJSXIRT-UHFFFAOYSA-N
XLogP0.50
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.50
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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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylfuran-2-carbohydrazide?
The IUPAC name of 4,5-dimethylfuran-2-carbohydrazide (CID 45122699) is 4,5-dimethylfuran-2-carbohydrazide.
What is the SMILES notation for 4,5-dimethylfuran-2-carbohydrazide?
The canonical SMILES for 4,5-dimethylfuran-2-carbohydrazide is Cc1cc(C(=O)NN)oc1C.
What is the InChIKey of 4,5-dimethylfuran-2-carbohydrazide?
The InChIKey is NNFGGXKPJSXIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-3-6(7(10)9-8)11-5(4)2/h3H,8H2,1-2H3,(H,9,10).
What are the key properties of 4,5-dimethylfuran-2-carbohydrazide?
4,5-dimethylfuran-2-carbohydrazide has a molecular weight of 154.17 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylfuran-2-carbohydrazide is sourced from PubChem (CID 45122699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).