8-methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol

C13H15NOSe — CID 11346508

IUPAC8-methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
SMILESCC1C(O)N=C(c2ccccc2)[Se]C12CC2
InChIInChI=1S/C13H15NOSe/c1-9-11(15)14-12(16-13(9)7-8-13)10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3
InChIKeyHYOPVJASKNQNFH-UHFFFAOYSA-N
MW280.23 g/mol
LogP2.06
Rot. Bonds1

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

8-methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol (PubChem CID 11346508) has the molecular formula C13H15NOSe and a molecular weight of 280.23 g/mol. Its IUPAC name is 8-methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol.

Molecular Properties

Compound Name8-methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
PubChem CID11346508
Molecular FormulaC13H15NOSe
Molecular Weight280.23 g/mol
Exact Mass281.03
IUPAC Name8-methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
SMILESCC1C(O)N=C(c2ccccc2)[Se]C12CC2
InChIInChI=1S/C13H15NOSe/c1-9-11(15)14-12(16-13(9)7-8-13)10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3
InChIKeyHYOPVJASKNQNFH-UHFFFAOYSA-N
XLogP2.06
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-isopropyl-4-methyl-2-p-tolyl-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 9926685
Benzylideneaminopropanol
CID 67428659
1-[(2,4-Difluorophenyl)methylideneamino]-4-methylpentan-1-ol
CID 151142509
CID 57523309
CID 57523309
4-methyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol
CID 134919764
(2S)-2-(benzylideneamino)-4-methylpentan-1-ol
CID 13095527
4-[[Deuterio(phenyl)methylidene]amino]butan-1-ol
CID 53940154
6-(Benzylideneamino)hexan-1-ol
CID 122202141
(6R)-2,6-diphenyl-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 172225873
5-ethyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 9795746
4-Methyl-2-phenyl-6-propyl-5,6-dihydro-1,3-selenazin-4-ol
CID 10040196
[(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol
CID 10466367

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol?
The IUPAC name of 8-methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol (CID 11346508) is 8-methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol.
What is the SMILES notation for 8-methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol?
The canonical SMILES for 8-methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol is CC1C(O)N=C(c2ccccc2)[Se]C12CC2.
What is the InChIKey of 8-methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol?
The InChIKey is HYOPVJASKNQNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NOSe/c1-9-11(15)14-12(16-13(9)7-8-13)10-5-3-2-4-6-10/h2-6,9,11,15H,7-8H2,1H3.
What are the key properties of 8-methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol?
8-methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol has a molecular weight of 280.23 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol is sourced from PubChem (CID 11346508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).