(1-oxo-1-phenylpropan-2-yl) selenocyanate

C10H9NOSe — CID 14114791

IUPAC(1-oxo-1-phenylpropan-2-yl) selenocyanate
SMILESCC([Se]C#N)C(=O)c1ccccc1
InChIInChI=1S/C10H9NOSe/c1-8(13-7-11)10(12)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKeyZYZISUFRVYFUAM-UHFFFAOYSA-N
MW238.15 g/mol
LogP1.86
Rot. Bonds3

About (1-oxo-1-phenylpropan-2-yl) selenocyanate

(1-oxo-1-phenylpropan-2-yl) selenocyanate (PubChem CID 14114791) has the molecular formula C10H9NOSe and a molecular weight of 238.15 g/mol. Its IUPAC name is (1-oxo-1-phenylpropan-2-yl) selenocyanate.

Molecular Properties

Compound Name(1-oxo-1-phenylpropan-2-yl) selenocyanate
PubChem CID14114791
Molecular FormulaC10H9NOSe
Molecular Weight238.15 g/mol
Exact Mass238.98
IUPAC Name(1-oxo-1-phenylpropan-2-yl) selenocyanate
SMILESCC([Se]C#N)C(=O)c1ccccc1
InChIInChI=1S/C10H9NOSe/c1-8(13-7-11)10(12)9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKeyZYZISUFRVYFUAM-UHFFFAOYSA-N
XLogP1.86
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.15
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-oxo-1-phenylpropan-2-yl) selenocyanate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;2-methyl-3-oxo-3-phenylpropanenitrile
CID 90994188
3-(cyanomethyl)-2-methyl-4-oxo-4-phenylbutanoic acid
CID 69091511
2-bromo-1-phenylpropan-1-one;ethane
CID 91095802
methyl (2R)-2-cyano-3-oxo-3-phenylpropanoate
CID 98050501
2-methyl-3-oxo-3-phenylpropanethioamide
CID 91606051
2,3-dibenzoyl-1,4-diphenylbutane-1,4-dione
CID 4277936
(2S)-2-methyl-3-oxo-3-phenylpropanal
CID 93475619
(2R)-2-amino-3-methyl-1-phenylbutan-1-one
CID 23245859
2-methyl-3-oxo-3-phenylpropanoate
CID 23290395
2-methyl-1-phenylpropan-1-one;1-phenylethanone
CID 162124258
N-[(2R)-1-oxo-1-phenylpropan-2-yl]formamide
CID 130699282
ethyl 2-cyano-3-oxo-3-phenylpropanoate
CID 3613418

Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-phenylpropan-2-yl) selenocyanate?
The IUPAC name of (1-oxo-1-phenylpropan-2-yl) selenocyanate (CID 14114791) is (1-oxo-1-phenylpropan-2-yl) selenocyanate.
What is the SMILES notation for (1-oxo-1-phenylpropan-2-yl) selenocyanate?
The canonical SMILES for (1-oxo-1-phenylpropan-2-yl) selenocyanate is CC([Se]C#N)C(=O)c1ccccc1.
What is the InChIKey of (1-oxo-1-phenylpropan-2-yl) selenocyanate?
The InChIKey is ZYZISUFRVYFUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOSe/c1-8(13-7-11)10(12)9-5-3-2-4-6-9/h2-6,8H,1H3.
What are the key properties of (1-oxo-1-phenylpropan-2-yl) selenocyanate?
(1-oxo-1-phenylpropan-2-yl) selenocyanate has a molecular weight of 238.15 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-phenylpropan-2-yl) selenocyanate is sourced from PubChem (CID 14114791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).