2-benzofuran-1,3-diimine;hydrochloride

C8H7ClN2O — CID 66733781

IUPAC2-benzofuran-1,3-diimine;hydrochloride
SMILESCl.[H]/N=C1\O/C(=N\[H])c2ccccc21
InChIInChI=1S/C8H6N2O.ClH/c9-7-5-3-1-2-4-6(5)8(10)11-7;/h1-4,9-10H;1H/b9-7-,10-8-;
InChIKeyUQJUUFHXVGEACY-RMMOYNDYSA-N
MW182.61 g/mol
LogP1.79
Rot. Bonds

About 2-benzofuran-1,3-diimine;hydrochloride

2-benzofuran-1,3-diimine;hydrochloride (PubChem CID 66733781) has the molecular formula C8H7ClN2O and a molecular weight of 182.61 g/mol. Its IUPAC name is 2-benzofuran-1,3-diimine;hydrochloride.

Molecular Properties

Compound Name2-benzofuran-1,3-diimine;hydrochloride
PubChem CID66733781
Molecular FormulaC8H7ClN2O
Molecular Weight182.61 g/mol
Exact Mass182.02
IUPAC Name2-benzofuran-1,3-diimine;hydrochloride
SMILESCl.[H]/N=C1\O/C(=N\[H])c2ccccc21
InChIInChI=1S/C8H6N2O.ClH/c9-7-5-3-1-2-4-6(5)8(10)11-7;/h1-4,9-10H;1H/b9-7-,10-8-;
InChIKeyUQJUUFHXVGEACY-RMMOYNDYSA-N
XLogP1.79
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-benzofuran-1,3-diimine;hydrochloride?
The IUPAC name of 2-benzofuran-1,3-diimine;hydrochloride (CID 66733781) is 2-benzofuran-1,3-diimine;hydrochloride.
What is the SMILES notation for 2-benzofuran-1,3-diimine;hydrochloride?
The canonical SMILES for 2-benzofuran-1,3-diimine;hydrochloride is Cl.[H]/N=C1\O/C(=N\[H])c2ccccc21.
What is the InChIKey of 2-benzofuran-1,3-diimine;hydrochloride?
The InChIKey is UQJUUFHXVGEACY-RMMOYNDYSA-N. The full InChI is InChI=1S/C8H6N2O.ClH/c9-7-5-3-1-2-4-6(5)8(10)11-7;/h1-4,9-10H;1H/b9-7-,10-8-;.
What are the key properties of 2-benzofuran-1,3-diimine;hydrochloride?
2-benzofuran-1,3-diimine;hydrochloride has a molecular weight of 182.61 g/mol, XLogP of 1.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzofuran-1,3-diimine;hydrochloride is sourced from PubChem (CID 66733781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).