2-oxo-N,2-diphenylethanimine oxide

C14H11NO2 — CID 11085465

IUPAC2-oxo-N,2-diphenylethanimine oxide
SMILESO=C(/C=[N+](\[O-])c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11NO2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-11H/b15-11-
InChIKeyVXNWOQBKIZBCOB-PTNGSMBKSA-N
MW225.25 g/mol
LogP2.78
Rot. Bonds3

About 2-oxo-N,2-diphenylethanimine oxide

2-oxo-N,2-diphenylethanimine oxide (PubChem CID 11085465) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-oxo-N,2-diphenylethanimine oxide.

Molecular Properties

Compound Name2-oxo-N,2-diphenylethanimine oxide
PubChem CID11085465
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name2-oxo-N,2-diphenylethanimine oxide
SMILESO=C(/C=[N+](\[O-])c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11NO2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-11H/b15-11-
InChIKeyVXNWOQBKIZBCOB-PTNGSMBKSA-N
XLogP2.78
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-oxo-N,2-diphenylethanimine oxide 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 2-oxo-N,2-diphenylethanimine oxide?
The IUPAC name of 2-oxo-N,2-diphenylethanimine oxide (CID 11085465) is 2-oxo-N,2-diphenylethanimine oxide.
What is the SMILES notation for 2-oxo-N,2-diphenylethanimine oxide?
The canonical SMILES for 2-oxo-N,2-diphenylethanimine oxide is O=C(/C=[N+](\[O-])c1ccccc1)c1ccccc1.
What is the InChIKey of 2-oxo-N,2-diphenylethanimine oxide?
The InChIKey is VXNWOQBKIZBCOB-PTNGSMBKSA-N. The full InChI is InChI=1S/C14H11NO2/c16-14(12-7-3-1-4-8-12)11-15(17)13-9-5-2-6-10-13/h1-11H/b15-11-.
What are the key properties of 2-oxo-N,2-diphenylethanimine oxide?
2-oxo-N,2-diphenylethanimine oxide has a molecular weight of 225.25 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N,2-diphenylethanimine oxide is sourced from PubChem (CID 11085465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).