2-cyclohexyl-1,2-benzoselenazol-3-one

C13H15NOSe — CID 10564673

IUPAC2-cyclohexyl-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1C1CCCCC1
InChIInChI=1S/C13H15NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKeyUVNHHTCMMKAHRA-UHFFFAOYSA-N
MW280.23 g/mol
LogP2.56
Rot. Bonds1

About 2-cyclohexyl-1,2-benzoselenazol-3-one

2-cyclohexyl-1,2-benzoselenazol-3-one (PubChem CID 10564673) has the molecular formula C13H15NOSe and a molecular weight of 280.23 g/mol. Its IUPAC name is 2-cyclohexyl-1,2-benzoselenazol-3-one.

Molecular Properties

Compound Name2-cyclohexyl-1,2-benzoselenazol-3-one
PubChem CID10564673
Molecular FormulaC13H15NOSe
Molecular Weight280.23 g/mol
Exact Mass281.03
IUPAC Name2-cyclohexyl-1,2-benzoselenazol-3-one
SMILESO=c1c2ccccc2[se]n1C1CCCCC1
InChIInChI=1S/C13H15NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2
InChIKeyUVNHHTCMMKAHRA-UHFFFAOYSA-N
XLogP2.56
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-cyclohexyl-1,2-benzoselenazol-3-one?
The IUPAC name of 2-cyclohexyl-1,2-benzoselenazol-3-one (CID 10564673) is 2-cyclohexyl-1,2-benzoselenazol-3-one.
What is the SMILES notation for 2-cyclohexyl-1,2-benzoselenazol-3-one?
The canonical SMILES for 2-cyclohexyl-1,2-benzoselenazol-3-one is O=c1c2ccccc2[se]n1C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1,2-benzoselenazol-3-one?
The InChIKey is UVNHHTCMMKAHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOSe/c15-13-11-8-4-5-9-12(11)16-14(13)10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2.
What are the key properties of 2-cyclohexyl-1,2-benzoselenazol-3-one?
2-cyclohexyl-1,2-benzoselenazol-3-one has a molecular weight of 280.23 g/mol, XLogP of 2.56, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,2-benzoselenazol-3-one is sourced from PubChem (CID 10564673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).