2-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one

C13H14N2OSe — CID 13163752

IUPAC2-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one
SMILESCC(C)(C(=O)c1ccccc1)c1c[se]c(N)n1
InChIInChI=1S/C13H14N2OSe/c1-13(2,10-8-17-12(14)15-10)11(16)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,14,15)
InChIKeyVTPUAAZPZXRJDZ-UHFFFAOYSA-N
MW293.23 g/mol
LogP1.88
Rot. Bonds3

About 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one

2-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one (PubChem CID 13163752) has the molecular formula C13H14N2OSe and a molecular weight of 293.23 g/mol. Its IUPAC name is 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one
PubChem CID13163752
Molecular FormulaC13H14N2OSe
Molecular Weight293.23 g/mol
Exact Mass294.03
IUPAC Name2-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one
SMILESCC(C)(C(=O)c1ccccc1)c1c[se]c(N)n1
InChIInChI=1S/C13H14N2OSe/c1-13(2,10-8-17-12(14)15-10)11(16)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,14,15)
InChIKeyVTPUAAZPZXRJDZ-UHFFFAOYSA-N
XLogP1.88
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one?
The IUPAC name of 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one (CID 13163752) is 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one.
What is the SMILES notation for 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one?
The canonical SMILES for 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one is CC(C)(C(=O)c1ccccc1)c1c[se]c(N)n1.
What is the InChIKey of 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one?
The InChIKey is VTPUAAZPZXRJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OSe/c1-13(2,10-8-17-12(14)15-10)11(16)9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,14,15).
What are the key properties of 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one?
2-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one has a molecular weight of 293.23 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-1,3-selenazol-4-yl)-2-methyl-1-phenylpropan-1-one is sourced from PubChem (CID 13163752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).