5-phenyl-1,2-selenazole

C9H7NSe — CID 13224790

IUPAC5-phenyl-1,2-selenazole
SMILESc1ccc(-c2ccn[se]2)cc1
InChIInChI=1S/C9H7NSe/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H
InChIKeyRZKXXUSXNFYHLO-UHFFFAOYSA-N
MW208.12 g/mol
LogP1.81
Rot. Bonds1

About 5-phenyl-1,2-selenazole

5-phenyl-1,2-selenazole (PubChem CID 13224790) has the molecular formula C9H7NSe and a molecular weight of 208.12 g/mol. Its IUPAC name is 5-phenyl-1,2-selenazole.

Molecular Properties

Compound Name5-phenyl-1,2-selenazole
PubChem CID13224790
Molecular FormulaC9H7NSe
Molecular Weight208.12 g/mol
Exact Mass208.97
IUPAC Name5-phenyl-1,2-selenazole
SMILESc1ccc(-c2ccn[se]2)cc1
InChIInChI=1S/C9H7NSe/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H
InChIKeyRZKXXUSXNFYHLO-UHFFFAOYSA-N
XLogP1.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.12
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 5-phenyl-1,2-selenazole?
The IUPAC name of 5-phenyl-1,2-selenazole (CID 13224790) is 5-phenyl-1,2-selenazole.
What is the SMILES notation for 5-phenyl-1,2-selenazole?
The canonical SMILES for 5-phenyl-1,2-selenazole is c1ccc(-c2ccn[se]2)cc1.
What is the InChIKey of 5-phenyl-1,2-selenazole?
The InChIKey is RZKXXUSXNFYHLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NSe/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H.
What are the key properties of 5-phenyl-1,2-selenazole?
5-phenyl-1,2-selenazole has a molecular weight of 208.12 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,2-selenazole is sourced from PubChem (CID 13224790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).