3-methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium

C10H9NOSe — CID 102274932

IUPAC3-methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium
SMILESCc1cc(-c2ccccc2)[se][n+]1[O-]
InChIInChI=1S/C10H9NOSe/c1-8-7-10(13-11(8)12)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyIFZAHLFNWASSLW-UHFFFAOYSA-N
MW238.15 g/mol
LogP1.35
Rot. Bonds1

About 3-methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium

3-methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium (PubChem CID 102274932) has the molecular formula C10H9NOSe and a molecular weight of 238.15 g/mol. Its IUPAC name is 3-methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium.

Molecular Properties

Compound Name3-methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium
PubChem CID102274932
Molecular FormulaC10H9NOSe
Molecular Weight238.15 g/mol
Exact Mass238.98
IUPAC Name3-methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium
SMILESCc1cc(-c2ccccc2)[se][n+]1[O-]
InChIInChI=1S/C10H9NOSe/c1-8-7-10(13-11(8)12)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyIFZAHLFNWASSLW-UHFFFAOYSA-N
XLogP1.35
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-4-phenylfurazan
CID 139130
5-(4-Fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole
CID 12969843
Trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide
CID 139049869
Jhucsmoyevmgck-uhfffaoysa-
CID 21630768
3-Ethyl-1,2-benzoselenazole
CID 11127530
3-(4-Fluorophenyl)-5-phenyl-1,2-selenazole
CID 155679821
5-(4-Fluorophenyl)-3-phenyl-1,2-selenazole
CID 155679824
5-Butyl-3-phenyl-4-(trifluoromethyl)-1,2-selenazole
CID 175493048
3-Methyl-2-oxido-1,2-benzoselenazol-2-ium
CID 12848543
3-Methyl-5-phenyl-1,2-tellurazole
CID 13159602
3-Methyl-5-phenyl-1,2-selenazole
CID 13224796
4-Bromo-3-methyl-5-phenyl-1,2-selenazole
CID 14343202

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium?
The IUPAC name of 3-methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium (CID 102274932) is 3-methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium.
What is the SMILES notation for 3-methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium?
The canonical SMILES for 3-methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium is Cc1cc(-c2ccccc2)[se][n+]1[O-].
What is the InChIKey of 3-methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium?
The InChIKey is IFZAHLFNWASSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOSe/c1-8-7-10(13-11(8)12)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 3-methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium?
3-methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium has a molecular weight of 238.15 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxido-5-phenyl-1,2-selenazol-2-ium is sourced from PubChem (CID 102274932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).