2-phenyl-1,2-benzoselenazol-3-one

C13H9NOSe — CID 3194

IUPAC2-phenyl-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1-c1ccccc1
InChIInChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
InChIKeyDYEFUKCXAQOFHX-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.05
Rot. Bonds1

About 2-phenyl-1,2-benzoselenazol-3-one

2-phenyl-1,2-benzoselenazol-3-one (PubChem CID 3194) has the molecular formula C13H9NOSe and a molecular weight of 274.18 g/mol. Its IUPAC name is 2-phenyl-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-phenyl-1,2-benzoselenazol-3-one
PubChem CID3194
Molecular FormulaC13H9NOSe
Molecular Weight274.18 g/mol
Exact Mass274.98
IUPAC Name2-phenyl-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1-c1ccccc1
InChIInChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H
InChIKeyDYEFUKCXAQOFHX-UHFFFAOYSA-N
XLogP2.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.05
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-phenyl-1,2-benzoselenazol-3-one?
The IUPAC name of 2-phenyl-1,2-benzoselenazol-3-one (CID 3194) is 2-phenyl-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-phenyl-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-phenyl-1,2-benzoselenazol-3-one is O=c1c2ccccc2[se]n1-c1ccccc1.
What is the InChIKey of 2-phenyl-1,2-benzoselenazol-3-one?
The InChIKey is DYEFUKCXAQOFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 2-phenyl-1,2-benzoselenazol-3-one?
2-phenyl-1,2-benzoselenazol-3-one has a molecular weight of 274.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,2-benzoselenazol-3-one is sourced from PubChem (CID 3194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).