3,7-dimethoxy-1-benzofuran-2-carbohydrazide

C11H12N2O4 — CID 57464190

IUPAC3,7-dimethoxy-1-benzofuran-2-carbohydrazide
SMILESCOc1c(C(=O)NN)oc2c(OC)cccc12
InChIInChI=1S/C11H12N2O4/c1-15-7-5-3-4-6-8(7)17-10(9(6)16-2)11(14)13-12/h3-5H,12H2,1-2H3,(H,13,14)
InChIKeyLAFZLCWRYHWEDI-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.05
Rot. Bonds3

About 3,7-dimethoxy-1-benzofuran-2-carbohydrazide

3,7-dimethoxy-1-benzofuran-2-carbohydrazide (PubChem CID 57464190) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3,7-dimethoxy-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3,7-dimethoxy-1-benzofuran-2-carbohydrazide
PubChem CID57464190
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name3,7-dimethoxy-1-benzofuran-2-carbohydrazide
SMILESCOc1c(C(=O)NN)oc2c(OC)cccc12
InChIInChI=1S/C11H12N2O4/c1-15-7-5-3-4-6-8(7)17-10(9(6)16-2)11(14)13-12/h3-5H,12H2,1-2H3,(H,13,14)
InChIKeyLAFZLCWRYHWEDI-UHFFFAOYSA-N
XLogP1.05
TPSA86.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3,7-dimethoxy-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3,7-dimethoxy-1-benzofuran-2-carbohydrazide (CID 57464190) is 3,7-dimethoxy-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3,7-dimethoxy-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3,7-dimethoxy-1-benzofuran-2-carbohydrazide is COc1c(C(=O)NN)oc2c(OC)cccc12.
What is the InChIKey of 3,7-dimethoxy-1-benzofuran-2-carbohydrazide?
The InChIKey is LAFZLCWRYHWEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-15-7-5-3-4-6-8(7)17-10(9(6)16-2)11(14)13-12/h3-5H,12H2,1-2H3,(H,13,14).
What are the key properties of 3,7-dimethoxy-1-benzofuran-2-carbohydrazide?
3,7-dimethoxy-1-benzofuran-2-carbohydrazide has a molecular weight of 236.23 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethoxy-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 57464190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).