2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine

C11H13NOSe — CID 10901178

IUPAC2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine
SMILESCC1N=C(c2ccccc2)[Se]C(C)O1
InChIInChI=1S/C11H13NOSe/c1-8-12-11(14-9(2)13-8)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeySHNGBEAFXNEIDP-UHFFFAOYSA-N
MW254.19 g/mol
LogP1.86
Rot. Bonds1

About 2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine

2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine (PubChem CID 10901178) has the molecular formula C11H13NOSe and a molecular weight of 254.19 g/mol. Its IUPAC name is 2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine.

Molecular Properties

Compound Name2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine
PubChem CID10901178
Molecular FormulaC11H13NOSe
Molecular Weight254.19 g/mol
Exact Mass255.02
IUPAC Name2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine
SMILESCC1N=C(c2ccccc2)[Se]C(C)O1
InChIInChI=1S/C11H13NOSe/c1-8-12-11(14-9(2)13-8)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeySHNGBEAFXNEIDP-UHFFFAOYSA-N
XLogP1.86
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.19
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine?
The IUPAC name of 2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine (CID 10901178) is 2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine.
What is the SMILES notation for 2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine?
The canonical SMILES for 2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine is CC1N=C(c2ccccc2)[Se]C(C)O1.
What is the InChIKey of 2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine?
The InChIKey is SHNGBEAFXNEIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOSe/c1-8-12-11(14-9(2)13-8)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of 2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine?
2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine has a molecular weight of 254.19 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-phenyl-6H-1,3,5-oxaselenazine is sourced from PubChem (CID 10901178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).