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

C14H17NOSe — CID 11300860

IUPAC5-benzyl-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
SMILESCC1C(O)N=C(Cc2ccccc2)[Se]C12CC2
InChIInChI=1S/C14H17NOSe/c1-10-13(16)15-12(17-14(10)7-8-14)9-11-5-3-2-4-6-11/h2-6,10,13,16H,7-9H2,1H3
InChIKeyKUNPMJPGKQWZTK-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.25
Rot. Bonds2

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

5-benzyl-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol (PubChem CID 11300860) has the molecular formula C14H17NOSe and a molecular weight of 294.26 g/mol. Its IUPAC name is 5-benzyl-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol.

Molecular Properties

Compound Name5-benzyl-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
PubChem CID11300860
Molecular FormulaC14H17NOSe
Molecular Weight294.26 g/mol
Exact Mass295.05
IUPAC Name5-benzyl-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
SMILESCC1C(O)N=C(Cc2ccccc2)[Se]C12CC2
InChIInChI=1S/C14H17NOSe/c1-10-13(16)15-12(17-14(10)7-8-14)9-11-5-3-2-4-6-11/h2-6,10,13,16H,7-9H2,1H3
InChIKeyKUNPMJPGKQWZTK-UHFFFAOYSA-N
XLogP2.25
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.25
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

5-ethyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 9795746
[(1S,2R)-1-(benzyliminomethyl)-2-[(E)-prop-1-enyl]cyclopropyl]methanol
CID 10466367
8-Methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
CID 11346508
8-Methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
CID 11369879
(4R,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 15518767
6,6-Dimethyl-2-(4-methylphenyl)-4,5-dihydro-1,3-selenazin-4-ol
CID 15518770
(4R,6S)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 15518771
(4S,6R)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 101117216
(4R,6R)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 101117217
(4S,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 101117218
(4S,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 101117222
(4R,6R)-2-(4-methylphenyl)-6-propyl-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 101117223

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol?
The IUPAC name of 5-benzyl-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol (CID 11300860) is 5-benzyl-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol.
What is the SMILES notation for 5-benzyl-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol?
The canonical SMILES for 5-benzyl-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol is CC1C(O)N=C(Cc2ccccc2)[Se]C12CC2.
What is the InChIKey of 5-benzyl-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol?
The InChIKey is KUNPMJPGKQWZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOSe/c1-10-13(16)15-12(17-14(10)7-8-14)9-11-5-3-2-4-6-11/h2-6,10,13,16H,7-9H2,1H3.
What are the key properties of 5-benzyl-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol?
5-benzyl-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol has a molecular weight of 294.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol is sourced from PubChem (CID 11300860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).