(NE)-N-(furan-2-ylmethylidene)hydroxylamine

C5H5NO2 — CID 6871288

IUPAC(NE)-N-(furan-2-ylmethylidene)hydroxylamine
SMILESO/N=C/c1ccco1
InChIInChI=1S/C5H5NO2/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4+
InChIKeyUYTMLDBQFLIQJA-GQCTYLIASA-N
MW111.10 g/mol
LogP1.09
Rot. Bonds1

About (NE)-N-(furan-2-ylmethylidene)hydroxylamine

(NE)-N-(furan-2-ylmethylidene)hydroxylamine (PubChem CID 6871288) has the molecular formula C5H5NO2 and a molecular weight of 111.10 g/mol. Its IUPAC name is (NE)-N-(furan-2-ylmethylidene)hydroxylamine.

Molecular Properties

Compound Name(NE)-N-(furan-2-ylmethylidene)hydroxylamine
PubChem CID6871288
Molecular FormulaC5H5NO2
Molecular Weight111.10 g/mol
Exact Mass111.03
IUPAC Name(NE)-N-(furan-2-ylmethylidene)hydroxylamine
SMILESO/N=C/c1ccco1
InChIInChI=1S/C5H5NO2/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4+
InChIKeyUYTMLDBQFLIQJA-GQCTYLIASA-N
XLogP1.09
TPSA45.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 51.09
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'}

Analyze (NE)-N-(furan-2-ylmethylidene)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-(furan-2-ylmethylidene)hydroxylamine?
The IUPAC name of (NE)-N-(furan-2-ylmethylidene)hydroxylamine (CID 6871288) is (NE)-N-(furan-2-ylmethylidene)hydroxylamine.
What is the SMILES notation for (NE)-N-(furan-2-ylmethylidene)hydroxylamine?
The canonical SMILES for (NE)-N-(furan-2-ylmethylidene)hydroxylamine is O/N=C/c1ccco1.
What is the InChIKey of (NE)-N-(furan-2-ylmethylidene)hydroxylamine?
The InChIKey is UYTMLDBQFLIQJA-GQCTYLIASA-N. The full InChI is InChI=1S/C5H5NO2/c7-6-4-5-2-1-3-8-5/h1-4,7H/b6-4+.
What are the key properties of (NE)-N-(furan-2-ylmethylidene)hydroxylamine?
(NE)-N-(furan-2-ylmethylidene)hydroxylamine has a molecular weight of 111.10 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-(furan-2-ylmethylidene)hydroxylamine is sourced from PubChem (CID 6871288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).