5-(4-bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol

C13H14BrNOSe — CID 11485154

IUPAC5-(4-bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
SMILESCC1C(O)N=C(c2ccc(Br)cc2)[Se]C12CC2
InChIInChI=1S/C13H14BrNOSe/c1-8-11(16)15-12(17-13(8)6-7-13)9-2-4-10(14)5-3-9/h2-5,8,11,16H,6-7H2,1H3
InChIKeyINUXBDKSDDASQW-UHFFFAOYSA-N
MW359.13 g/mol
LogP2.82
Rot. Bonds1

About 5-(4-bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol

5-(4-bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol (PubChem CID 11485154) has the molecular formula C13H14BrNOSe and a molecular weight of 359.13 g/mol. Its IUPAC name is 5-(4-bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol.

Molecular Properties

Compound Name5-(4-bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
PubChem CID11485154
Molecular FormulaC13H14BrNOSe
Molecular Weight359.13 g/mol
Exact Mass358.94
IUPAC Name5-(4-bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
SMILESCC1C(O)N=C(c2ccc(Br)cc2)[Se]C12CC2
InChIInChI=1S/C13H14BrNOSe/c1-8-11(16)15-12(17-13(8)6-7-13)9-2-4-10(14)5-3-9/h2-5,8,11,16H,6-7H2,1H3
InChIKeyINUXBDKSDDASQW-UHFFFAOYSA-N
XLogP2.82
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.13
LogP ≤ 52.82
H-Bond Donors ≤ 51
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 5-(4-bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol?
The IUPAC name of 5-(4-bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol (CID 11485154) is 5-(4-bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol.
What is the SMILES notation for 5-(4-bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol?
The canonical SMILES for 5-(4-bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol is CC1C(O)N=C(c2ccc(Br)cc2)[Se]C12CC2.
What is the InChIKey of 5-(4-bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol?
The InChIKey is INUXBDKSDDASQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrNOSe/c1-8-11(16)15-12(17-13(8)6-7-13)9-2-4-10(14)5-3-9/h2-5,8,11,16H,6-7H2,1H3.
What are the key properties of 5-(4-bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol?
5-(4-bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol has a molecular weight of 359.13 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol is sourced from PubChem (CID 11485154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).