5-phenyl-3-propyl-1,2-selenazole

C12H13NSe — CID 101221995

IUPAC5-phenyl-3-propyl-1,2-selenazole
SMILESCCCc1cc(-c2ccccc2)[se]n1
InChIInChI=1S/C12H13NSe/c1-2-6-11-9-12(14-13-11)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChIKeyDFVVWQQZMLPAIB-UHFFFAOYSA-N
MW250.20 g/mol
LogP2.76
Rot. Bonds3

About 5-phenyl-3-propyl-1,2-selenazole

5-phenyl-3-propyl-1,2-selenazole (PubChem CID 101221995) has the molecular formula C12H13NSe and a molecular weight of 250.20 g/mol. Its IUPAC name is 5-phenyl-3-propyl-1,2-selenazole.

Molecular Properties

Compound Name5-phenyl-3-propyl-1,2-selenazole
PubChem CID101221995
Molecular FormulaC12H13NSe
Molecular Weight250.20 g/mol
Exact Mass251.02
IUPAC Name5-phenyl-3-propyl-1,2-selenazole
SMILESCCCc1cc(-c2ccccc2)[se]n1
InChIInChI=1S/C12H13NSe/c1-2-6-11-9-12(14-13-11)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3
InChIKeyDFVVWQQZMLPAIB-UHFFFAOYSA-N
XLogP2.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-Selenadiazole, 4-phenyl-
CID 141232
3-Methyl-5-phenyl-1,2-thiazole
CID 600269
5-(4-Fluorophenyl)-3-(trifluoromethyl)-1,2-selenazole
CID 12969843
3-Phenyl-1,2-benzoisoselenazole
CID 621129
3-Methyl-1,2-benzoselenazole
CID 21826482
Trifluoro-[(3-methyl-5-phenyl-1,2-tellurazol-2-ium-2-yl)oxy]boranuide
CID 139049869
3-Ethyl-5-phenyl-1,2-thiazole
CID 10035412
Jhucsmoyevmgck-uhfffaoysa-
CID 21630768
3-Methyl-4-phenyl-1,2,5-selenadiazole
CID 101663610
3-Ethyl-1,2-benzoselenazole
CID 11127530
4,5-Diphenyl-1,2,3-selenadiazole
CID 11161930
3-Butyl-4-phenyl-1,2,5-thiadiazole
CID 12689837

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-propyl-1,2-selenazole?
The IUPAC name of 5-phenyl-3-propyl-1,2-selenazole (CID 101221995) is 5-phenyl-3-propyl-1,2-selenazole.
What is the SMILES notation for 5-phenyl-3-propyl-1,2-selenazole?
The canonical SMILES for 5-phenyl-3-propyl-1,2-selenazole is CCCc1cc(-c2ccccc2)[se]n1.
What is the InChIKey of 5-phenyl-3-propyl-1,2-selenazole?
The InChIKey is DFVVWQQZMLPAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NSe/c1-2-6-11-9-12(14-13-11)10-7-4-3-5-8-10/h3-5,7-9H,2,6H2,1H3.
What are the key properties of 5-phenyl-3-propyl-1,2-selenazole?
5-phenyl-3-propyl-1,2-selenazole has a molecular weight of 250.20 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-propyl-1,2-selenazole is sourced from PubChem (CID 101221995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).