5-(propan-2-yloxymethyl)furan-3-carbohydrazide

C9H14N2O3 — CID 63574391

IUPAC5-(propan-2-yloxymethyl)furan-3-carbohydrazide
SMILESCC(C)OCc1cc(C(=O)NN)co1
InChIInChI=1S/C9H14N2O3/c1-6(2)13-5-8-3-7(4-14-8)9(12)11-10/h3-4,6H,5,10H2,1-2H3,(H,11,12)
InChIKeyAPAWACIZYRROPO-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.81
Rot. Bonds4

About 5-(propan-2-yloxymethyl)furan-3-carbohydrazide

5-(propan-2-yloxymethyl)furan-3-carbohydrazide (PubChem CID 63574391) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5-(propan-2-yloxymethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name5-(propan-2-yloxymethyl)furan-3-carbohydrazide
PubChem CID63574391
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name5-(propan-2-yloxymethyl)furan-3-carbohydrazide
SMILESCC(C)OCc1cc(C(=O)NN)co1
InChIInChI=1S/C9H14N2O3/c1-6(2)13-5-8-3-7(4-14-8)9(12)11-10/h3-4,6H,5,10H2,1-2H3,(H,11,12)
InChIKeyAPAWACIZYRROPO-UHFFFAOYSA-N
XLogP0.81
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.81
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 5-(propan-2-yloxymethyl)furan-3-carbohydrazide?
The IUPAC name of 5-(propan-2-yloxymethyl)furan-3-carbohydrazide (CID 63574391) is 5-(propan-2-yloxymethyl)furan-3-carbohydrazide.
What is the SMILES notation for 5-(propan-2-yloxymethyl)furan-3-carbohydrazide?
The canonical SMILES for 5-(propan-2-yloxymethyl)furan-3-carbohydrazide is CC(C)OCc1cc(C(=O)NN)co1.
What is the InChIKey of 5-(propan-2-yloxymethyl)furan-3-carbohydrazide?
The InChIKey is APAWACIZYRROPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6(2)13-5-8-3-7(4-14-8)9(12)11-10/h3-4,6H,5,10H2,1-2H3,(H,11,12).
What are the key properties of 5-(propan-2-yloxymethyl)furan-3-carbohydrazide?
5-(propan-2-yloxymethyl)furan-3-carbohydrazide has a molecular weight of 198.22 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(propan-2-yloxymethyl)furan-3-carbohydrazide is sourced from PubChem (CID 63574391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).