5-hex-1-ynylfuran-2-carbohydrazide

C11H14N2O2 — CID 600406

IUPAC5-hex-1-ynylfuran-2-carbohydrazide
SMILESCCCCC#Cc1ccc(C(=O)NN)o1
InChIInChI=1S/C11H14N2O2/c1-2-3-4-5-6-9-7-8-10(15-9)11(14)13-12/h7-8H,2-4,12H2,1H3,(H,13,14)
InChIKeyFNFSCFDVJNGZPL-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.42
Rot. Bonds3

About 5-hex-1-ynylfuran-2-carbohydrazide

5-hex-1-ynylfuran-2-carbohydrazide (PubChem CID 600406) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-hex-1-ynylfuran-2-carbohydrazide.

Molecular Properties

Compound Name5-hex-1-ynylfuran-2-carbohydrazide
PubChem CID600406
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name5-hex-1-ynylfuran-2-carbohydrazide
SMILESCCCCC#Cc1ccc(C(=O)NN)o1
InChIInChI=1S/C11H14N2O2/c1-2-3-4-5-6-9-7-8-10(15-9)11(14)13-12/h7-8H,2-4,12H2,1H3,(H,13,14)
InChIKeyFNFSCFDVJNGZPL-UHFFFAOYSA-N
XLogP1.42
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-hex-1-ynylfuran-2-carbohydrazide?
The IUPAC name of 5-hex-1-ynylfuran-2-carbohydrazide (CID 600406) is 5-hex-1-ynylfuran-2-carbohydrazide.
What is the SMILES notation for 5-hex-1-ynylfuran-2-carbohydrazide?
The canonical SMILES for 5-hex-1-ynylfuran-2-carbohydrazide is CCCCC#Cc1ccc(C(=O)NN)o1.
What is the InChIKey of 5-hex-1-ynylfuran-2-carbohydrazide?
The InChIKey is FNFSCFDVJNGZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-2-3-4-5-6-9-7-8-10(15-9)11(14)13-12/h7-8H,2-4,12H2,1H3,(H,13,14).
What are the key properties of 5-hex-1-ynylfuran-2-carbohydrazide?
5-hex-1-ynylfuran-2-carbohydrazide has a molecular weight of 206.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hex-1-ynylfuran-2-carbohydrazide is sourced from PubChem (CID 600406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).