N'-butyl-1-benzofuran-2-carbohydrazide

C13H16N2O2 — CID 139575810

IUPACN'-butyl-1-benzofuran-2-carbohydrazide
SMILESCCCCNNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H16N2O2/c1-2-3-8-14-15-13(16)12-9-10-6-4-5-7-11(10)17-12/h4-7,9,14H,2-3,8H2,1H3,(H,15,16)
InChIKeyMURZIJUOFHBAKH-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.47
Rot. Bonds5

About N'-butyl-1-benzofuran-2-carbohydrazide

N'-butyl-1-benzofuran-2-carbohydrazide (PubChem CID 139575810) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N'-butyl-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-butyl-1-benzofuran-2-carbohydrazide
PubChem CID139575810
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN'-butyl-1-benzofuran-2-carbohydrazide
SMILESCCCCNNC(=O)c1cc2ccccc2o1
InChIInChI=1S/C13H16N2O2/c1-2-3-8-14-15-13(16)12-9-10-6-4-5-7-11(10)17-12/h4-7,9,14H,2-3,8H2,1H3,(H,15,16)
InChIKeyMURZIJUOFHBAKH-UHFFFAOYSA-N
XLogP2.47
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N'-butyl-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-butyl-1-benzofuran-2-carbohydrazide (CID 139575810) is N'-butyl-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-butyl-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-butyl-1-benzofuran-2-carbohydrazide is CCCCNNC(=O)c1cc2ccccc2o1.
What is the InChIKey of N'-butyl-1-benzofuran-2-carbohydrazide?
The InChIKey is MURZIJUOFHBAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-3-8-14-15-13(16)12-9-10-6-4-5-7-11(10)17-12/h4-7,9,14H,2-3,8H2,1H3,(H,15,16).
What are the key properties of N'-butyl-1-benzofuran-2-carbohydrazide?
N'-butyl-1-benzofuran-2-carbohydrazide has a molecular weight of 232.28 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butyl-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 139575810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).