N-oxido-1-phenylmethanimine

C7H6NO- — CID 3712496

IUPACN-oxido-1-phenylmethanimine
SMILES[O-]N=Cc1ccccc1
InChIInChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/p-1
InChIKeyVTWKXBJHBHYJBI-UHFFFAOYSA-M
MW120.13 g/mol
LogP1.60
Rot. Bonds1

About N-oxido-1-phenylmethanimine

N-oxido-1-phenylmethanimine (PubChem CID 3712496) has the molecular formula C7H6NO- and a molecular weight of 120.13 g/mol. Its IUPAC name is N-oxido-1-phenylmethanimine.

Molecular Properties

Compound NameN-oxido-1-phenylmethanimine
PubChem CID3712496
Molecular FormulaC7H6NO-
Molecular Weight120.13 g/mol
Exact Mass120.05
IUPAC NameN-oxido-1-phenylmethanimine
SMILES[O-]N=Cc1ccccc1
InChIInChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/p-1
InChIKeyVTWKXBJHBHYJBI-UHFFFAOYSA-M
XLogP1.60
TPSA35.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-oxido-1-phenylmethanimine with MolForge

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

Launch Full Analysis

Related Compounds

copper (E)-N-oxido-1-phenylmethanimine
CID 146166650
ethane;N-methyl-1-phenylmethanimine
CID 90887000
N,1-diphenylmethanimine
CID 10858
(Z)-1-(4-methoxyphenyl)-N-oxidomethanimine
CID 11389669
(Z)-N-[(E)-[5-[(E)-[(Z)-benzylidenehydrazinylidene]methyl]thiophen-2-yl]methylideneamino]-1-phenylmethanimine
CID 59973054
N-benzylidenehydroxylamine;ethane
CID 90698406
(NZ)-N-benzylidenehydroxylamine;ethane
CID 91038836
(E)-1-(1-methylpyridin-1-ium-3-yl)-N-oxidomethanimine;hydroiodide
CID 171375297
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
(benzylideneamino)-oxosulfanium
CID 172739102
N-[(2R,3R)-3-(benzylideneamino)butan-2-yl]-1-phenylmethanimine
CID 929328
methanethiol;(E)-N-oxido-1-(1-oxidopyridin-1-ium-4-yl)methanimine;yttrium
CID 162004220

Frequently Asked Questions

What is the IUPAC name of N-oxido-1-phenylmethanimine?
The IUPAC name of N-oxido-1-phenylmethanimine (CID 3712496) is N-oxido-1-phenylmethanimine.
What is the SMILES notation for N-oxido-1-phenylmethanimine?
The canonical SMILES for N-oxido-1-phenylmethanimine is [O-]N=Cc1ccccc1.
What is the InChIKey of N-oxido-1-phenylmethanimine?
The InChIKey is VTWKXBJHBHYJBI-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO/c9-8-6-7-4-2-1-3-5-7/h1-6,9H/p-1.
What are the key properties of N-oxido-1-phenylmethanimine?
N-oxido-1-phenylmethanimine has a molecular weight of 120.13 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxido-1-phenylmethanimine is sourced from PubChem (CID 3712496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).