6-benzoyl-3H-1,3-benzoselenazol-2-one

C14H9NO2Se — CID 10447623

IUPAC6-benzoyl-3H-1,3-benzoselenazol-2-one
SMILESO=C(c1ccccc1)c1ccc2[nH]c(=O)[se]c2c1
InChIInChI=1S/C14H9NO2Se/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-14(17)15-11/h1-8H,(H,15,17)
InChIKeyKDDYVTJSEFEDOC-UHFFFAOYSA-N
MW302.19 g/mol
LogP1.82
Rot. Bonds2

About 6-benzoyl-3H-1,3-benzoselenazol-2-one

6-benzoyl-3H-1,3-benzoselenazol-2-one (PubChem CID 10447623) has the molecular formula C14H9NO2Se and a molecular weight of 302.19 g/mol. Its IUPAC name is 6-benzoyl-3H-1,3-benzoselenazol-2-one.

Molecular Properties

Compound Name6-benzoyl-3H-1,3-benzoselenazol-2-one
PubChem CID10447623
Molecular FormulaC14H9NO2Se
Molecular Weight302.19 g/mol
Exact Mass302.98
IUPAC Name6-benzoyl-3H-1,3-benzoselenazol-2-one
SMILESO=C(c1ccccc1)c1ccc2[nH]c(=O)[se]c2c1
InChIInChI=1S/C14H9NO2Se/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-14(17)15-11/h1-8H,(H,15,17)
InChIKeyKDDYVTJSEFEDOC-UHFFFAOYSA-N
XLogP1.82
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-benzoyl-3H-1,3-benzoselenazol-2-one 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 6-benzoyl-3H-1,3-benzoselenazol-2-one?
The IUPAC name of 6-benzoyl-3H-1,3-benzoselenazol-2-one (CID 10447623) is 6-benzoyl-3H-1,3-benzoselenazol-2-one.
What is the SMILES notation for 6-benzoyl-3H-1,3-benzoselenazol-2-one?
The canonical SMILES for 6-benzoyl-3H-1,3-benzoselenazol-2-one is O=C(c1ccccc1)c1ccc2[nH]c(=O)[se]c2c1.
What is the InChIKey of 6-benzoyl-3H-1,3-benzoselenazol-2-one?
The InChIKey is KDDYVTJSEFEDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2Se/c16-13(9-4-2-1-3-5-9)10-6-7-11-12(8-10)18-14(17)15-11/h1-8H,(H,15,17).
What are the key properties of 6-benzoyl-3H-1,3-benzoselenazol-2-one?
6-benzoyl-3H-1,3-benzoselenazol-2-one has a molecular weight of 302.19 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-3H-1,3-benzoselenazol-2-one is sourced from PubChem (CID 10447623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).