2-[(1R)-1-phenylethyl]-1,2-benzoselenazol-3-one

C15H13NOSe — CID 10638072

IUPAC2-[(1R)-1-phenylethyl]-1,2-benzoselenazol-3-one
SMILESC[C@H](c1ccccc1)n1[se]c2ccccc2c1=O
InChIInChI=1S/C15H13NOSe/c1-11(12-7-3-2-4-8-12)16-15(17)13-9-5-6-10-14(13)18-16/h2-11H,1H3/t11-/m1/s1
InChIKeyWXLUUJBDZZEORE-LLVKDONJSA-N
MW302.24 g/mol
LogP2.67
Rot. Bonds2

About 2-[(1R)-1-phenylethyl]-1,2-benzoselenazol-3-one

2-[(1R)-1-phenylethyl]-1,2-benzoselenazol-3-one (PubChem CID 10638072) has the molecular formula C15H13NOSe and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-[(1R)-1-phenylethyl]-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-[(1R)-1-phenylethyl]-1,2-benzoselenazol-3-one
PubChem CID10638072
Molecular FormulaC15H13NOSe
Molecular Weight302.24 g/mol
Exact Mass303.02
IUPAC Name2-[(1R)-1-phenylethyl]-1,2-benzoselenazol-3-one
SMILESC[C@H](c1ccccc1)n1[se]c2ccccc2c1=O
InChIInChI=1S/C15H13NOSe/c1-11(12-7-3-2-4-8-12)16-15(17)13-9-5-6-10-14(13)18-16/h2-11H,1H3/t11-/m1/s1
InChIKeyWXLUUJBDZZEORE-LLVKDONJSA-N
XLogP2.67
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.67
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-[(1R)-1-phenylethyl]-1,2-benzoselenazol-3-one?
The IUPAC name of 2-[(1R)-1-phenylethyl]-1,2-benzoselenazol-3-one (CID 10638072) is 2-[(1R)-1-phenylethyl]-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-[(1R)-1-phenylethyl]-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-[(1R)-1-phenylethyl]-1,2-benzoselenazol-3-one is C[C@H](c1ccccc1)n1[se]c2ccccc2c1=O.
What is the InChIKey of 2-[(1R)-1-phenylethyl]-1,2-benzoselenazol-3-one?
The InChIKey is WXLUUJBDZZEORE-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13NOSe/c1-11(12-7-3-2-4-8-12)16-15(17)13-9-5-6-10-14(13)18-16/h2-11H,1H3/t11-/m1/s1.
What are the key properties of 2-[(1R)-1-phenylethyl]-1,2-benzoselenazol-3-one?
2-[(1R)-1-phenylethyl]-1,2-benzoselenazol-3-one has a molecular weight of 302.24 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-phenylethyl]-1,2-benzoselenazol-3-one is sourced from PubChem (CID 10638072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).