4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide

C11H16N2O3 — CID 63568934

IUPAC4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1COC1CCC1
InChIInChI=1S/C11H16N2O3/c1-7-8(6-15-9-3-2-4-9)5-10(16-7)11(14)13-12/h5,9H,2-4,6,12H2,1H3,(H,13,14)
InChIKeyDBDFBBQWBXHOQL-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.26
Rot. Bonds4

About 4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide

4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide (PubChem CID 63568934) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide.

Molecular Properties

Compound Name4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide
PubChem CID63568934
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide
SMILESCc1oc(C(=O)NN)cc1COC1CCC1
InChIInChI=1S/C11H16N2O3/c1-7-8(6-15-9-3-2-4-9)5-10(16-7)11(14)13-12/h5,9H,2-4,6,12H2,1H3,(H,13,14)
InChIKeyDBDFBBQWBXHOQL-UHFFFAOYSA-N
XLogP1.26
TPSA77.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.26
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 4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide?
The IUPAC name of 4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide (CID 63568934) is 4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide.
What is the SMILES notation for 4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide?
The canonical SMILES for 4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide is Cc1oc(C(=O)NN)cc1COC1CCC1.
What is the InChIKey of 4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide?
The InChIKey is DBDFBBQWBXHOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7-8(6-15-9-3-2-4-9)5-10(16-7)11(14)13-12/h5,9H,2-4,6,12H2,1H3,(H,13,14).
What are the key properties of 4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide?
4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide has a molecular weight of 224.26 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutyloxymethyl)-5-methylfuran-2-carbohydrazide is sourced from PubChem (CID 63568934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).