(NE)-N-[1-benzofuran-2-yl(phenyl)methylidene]hydroxylamine

C15H11NO2 — CID 5334231

IUPAC(NE)-N-[1-benzofuran-2-yl(phenyl)methylidene]hydroxylamine
SMILESO/N=C(\c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C15H11NO2/c17-16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)18-14/h1-10,17H/b16-15+
InChIKeyHKJPUKFSRLNVKF-FOCLMDBBSA-N
MW237.26 g/mol
LogP3.66
Rot. Bonds2

About (NE)-N-[1-benzofuran-2-yl(phenyl)methylidene]hydroxylamine

(NE)-N-[1-benzofuran-2-yl(phenyl)methylidene]hydroxylamine (PubChem CID 5334231) has the molecular formula C15H11NO2 and a molecular weight of 237.26 g/mol. Its IUPAC name is (NE)-N-[1-benzofuran-2-yl(phenyl)methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[1-benzofuran-2-yl(phenyl)methylidene]hydroxylamine
PubChem CID5334231
Molecular FormulaC15H11NO2
Molecular Weight237.26 g/mol
Exact Mass237.08
IUPAC Name(NE)-N-[1-benzofuran-2-yl(phenyl)methylidene]hydroxylamine
SMILESO/N=C(\c1ccccc1)c1cc2ccccc2o1
InChIInChI=1S/C15H11NO2/c17-16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)18-14/h1-10,17H/b16-15+
InChIKeyHKJPUKFSRLNVKF-FOCLMDBBSA-N
XLogP3.66
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 (NE)-N-[1-benzofuran-2-yl(phenyl)methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[1-benzofuran-2-yl(phenyl)methylidene]hydroxylamine (CID 5334231) is (NE)-N-[1-benzofuran-2-yl(phenyl)methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[1-benzofuran-2-yl(phenyl)methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[1-benzofuran-2-yl(phenyl)methylidene]hydroxylamine is O/N=C(\c1ccccc1)c1cc2ccccc2o1.
What is the InChIKey of (NE)-N-[1-benzofuran-2-yl(phenyl)methylidene]hydroxylamine?
The InChIKey is HKJPUKFSRLNVKF-FOCLMDBBSA-N. The full InChI is InChI=1S/C15H11NO2/c17-16-15(11-6-2-1-3-7-11)14-10-12-8-4-5-9-13(12)18-14/h1-10,17H/b16-15+.
What are the key properties of (NE)-N-[1-benzofuran-2-yl(phenyl)methylidene]hydroxylamine?
(NE)-N-[1-benzofuran-2-yl(phenyl)methylidene]hydroxylamine has a molecular weight of 237.26 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[1-benzofuran-2-yl(phenyl)methylidene]hydroxylamine is sourced from PubChem (CID 5334231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).