(NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine

C14H11NO3 — CID 10705261

IUPAC(NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine
SMILESO/N=C1/COc2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C14H11NO3/c16-15-13-9-17-14-7-6-11(8-12(13)14)18-10-4-2-1-3-5-10/h1-8,16H,9H2/b15-13-
InChIKeyOZFROVUXOIGDBW-SQFISAMPSA-N
MW241.25 g/mol
LogP3.05
Rot. Bonds2

About (NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine

(NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine (PubChem CID 10705261) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is (NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine
PubChem CID10705261
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name(NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine
SMILESO/N=C1/COc2ccc(Oc3ccccc3)cc21
InChIInChI=1S/C14H11NO3/c16-15-13-9-17-14-7-6-11(8-12(13)14)18-10-4-2-1-3-5-10/h1-8,16H,9H2/b15-13-
InChIKeyOZFROVUXOIGDBW-SQFISAMPSA-N
XLogP3.05
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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'}

Analyze (NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine?
The IUPAC name of (NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine (CID 10705261) is (NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine is O/N=C1/COc2ccc(Oc3ccccc3)cc21.
What is the InChIKey of (NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine?
The InChIKey is OZFROVUXOIGDBW-SQFISAMPSA-N. The full InChI is InChI=1S/C14H11NO3/c16-15-13-9-17-14-7-6-11(8-12(13)14)18-10-4-2-1-3-5-10/h1-8,16H,9H2/b15-13-.
What are the key properties of (NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine?
(NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine has a molecular weight of 241.25 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(5-phenoxy-1-benzofuran-3-ylidene)hydroxylamine is sourced from PubChem (CID 10705261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).