2-(2-phenylethyl)-1,2-benzoselenazol-3-one

C15H13NOSe — CID 102261763

IUPAC2-(2-phenylethyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1CCc1ccccc1
InChIInChI=1S/C15H13NOSe/c17-15-13-8-4-5-9-14(13)18-16(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeySMKSRBHENMGVPF-UHFFFAOYSA-N
MW302.24 g/mol
LogP2.30
Rot. Bonds3

About 2-(2-phenylethyl)-1,2-benzoselenazol-3-one

2-(2-phenylethyl)-1,2-benzoselenazol-3-one (PubChem CID 102261763) has the molecular formula C15H13NOSe and a molecular weight of 302.24 g/mol. Its IUPAC name is 2-(2-phenylethyl)-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-(2-phenylethyl)-1,2-benzoselenazol-3-one
PubChem CID102261763
Molecular FormulaC15H13NOSe
Molecular Weight302.24 g/mol
Exact Mass303.02
IUPAC Name2-(2-phenylethyl)-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1CCc1ccccc1
InChIInChI=1S/C15H13NOSe/c17-15-13-8-4-5-9-14(13)18-16(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2
InChIKeySMKSRBHENMGVPF-UHFFFAOYSA-N
XLogP2.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-Methylphthalimide
CID 11074
N,N-Diethylbenzamide
CID 15542
Phthalimidine
CID 10199
Benzoylpiperidine
CID 69892
Isopropylphthalimide
CID 67535
N-Butylphthalimide
CID 73812
Ethaselen
CID 10387485
N,N-Dibenzylbenzamide
CID 101312
N-Ethylphthalimide
CID 21120
N-Benzoylbenzylamine
CID 73878
N-(2-Methylallyl)-phthalimide
CID 231838
N,N'-Trimethylenediphthalimide
CID 248109

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-1,2-benzoselenazol-3-one?
The IUPAC name of 2-(2-phenylethyl)-1,2-benzoselenazol-3-one (CID 102261763) is 2-(2-phenylethyl)-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-(2-phenylethyl)-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-(2-phenylethyl)-1,2-benzoselenazol-3-one is O=c1c2ccccc2[se]n1CCc1ccccc1.
What is the InChIKey of 2-(2-phenylethyl)-1,2-benzoselenazol-3-one?
The InChIKey is SMKSRBHENMGVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NOSe/c17-15-13-8-4-5-9-14(13)18-16(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2.
What are the key properties of 2-(2-phenylethyl)-1,2-benzoselenazol-3-one?
2-(2-phenylethyl)-1,2-benzoselenazol-3-one has a molecular weight of 302.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-1,2-benzoselenazol-3-one is sourced from PubChem (CID 102261763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).