3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione

C10H9NO2Se — CID 13214781

IUPAC3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione
SMILESCN1C(=O)[Se]C(c2ccccc2)C1=O
InChIInChI=1S/C10H9NO2Se/c1-11-9(12)8(14-10(11)13)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyKJNYFWCNFSZCFK-UHFFFAOYSA-N
MW254.15 g/mol
LogP1.02
Rot. Bonds1

About 3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione

3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione (PubChem CID 13214781) has the molecular formula C10H9NO2Se and a molecular weight of 254.15 g/mol. Its IUPAC name is 3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione
PubChem CID13214781
Molecular FormulaC10H9NO2Se
Molecular Weight254.15 g/mol
Exact Mass254.98
IUPAC Name3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione
SMILESCN1C(=O)[Se]C(c2ccccc2)C1=O
InChIInChI=1S/C10H9NO2Se/c1-11-9(12)8(14-10(11)13)7-5-3-2-4-6-7/h2-6,8H,1H3
InChIKeyKJNYFWCNFSZCFK-UHFFFAOYSA-N
XLogP1.02
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.15
LogP ≤ 51.02
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 3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione?
The IUPAC name of 3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione (CID 13214781) is 3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione.
What is the SMILES notation for 3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione?
The canonical SMILES for 3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione is CN1C(=O)[Se]C(c2ccccc2)C1=O.
What is the InChIKey of 3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione?
The InChIKey is KJNYFWCNFSZCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2Se/c1-11-9(12)8(14-10(11)13)7-5-3-2-4-6-7/h2-6,8H,1H3.
What are the key properties of 3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione?
3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione has a molecular weight of 254.15 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-1,3-selenazolidine-2,4-dione is sourced from PubChem (CID 13214781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).