8-methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol

C14H17NOSe — CID 11369879

IUPAC8-methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
SMILESCc1cccc(C2=NC(O)C(C)C3(CC3)[Se]2)c1
InChIInChI=1S/C14H17NOSe/c1-9-4-3-5-11(8-9)13-15-12(16)10(2)14(17-13)6-7-14/h3-5,8,10,12,16H,6-7H2,1-2H3
InChIKeyHJXSIRYZSAHRIM-UHFFFAOYSA-N
MW294.26 g/mol
LogP2.37
Rot. Bonds1

About 8-methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol

8-methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol (PubChem CID 11369879) has the molecular formula C14H17NOSe and a molecular weight of 294.26 g/mol. Its IUPAC name is 8-methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol.

Molecular Properties

Compound Name8-methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
PubChem CID11369879
Molecular FormulaC14H17NOSe
Molecular Weight294.26 g/mol
Exact Mass295.05
IUPAC Name8-methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
SMILESCc1cccc(C2=NC(O)C(C)C3(CC3)[Se]2)c1
InChIInChI=1S/C14H17NOSe/c1-9-4-3-5-11(8-9)13-15-12(16)10(2)14(17-13)6-7-14/h3-5,8,10,12,16H,6-7H2,1-2H3
InChIKeyHJXSIRYZSAHRIM-UHFFFAOYSA-N
XLogP2.37
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.26
LogP ≤ 52.37
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

4-ethyl-2-(4-methylphenyl)-6,6-di(propan-2-yl)-5H-1,3-selenazin-4-ol
CID 134919507
(2S)-3-methyl-2-[(3-methylphenyl)methylideneamino]butan-1-ol
CID 143226913
5-ethyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 9795746
5-Benzyl-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
CID 11300860
8-Methyl-5-phenyl-4-thia-6-azaspiro[2.5]oct-5-en-7-ol
CID 11345323
8-Methyl-5-phenyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
CID 11346508
5-(4-Bromophenyl)-8-methyl-4-selena-6-azaspiro[2.5]oct-5-en-7-ol
CID 11485154
(4R,6S)-6-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 15518767
(4R,5S)-5-methyl-2-(4-methylphenyl)-5,6-dihydro-4H-1,3-selenazin-4-ol
CID 15518769
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
cis-(1S,2R)-2-[[(3-methylphenyl)methylideneamino]methyl]cyclohexan-1-ol
CID 101116793

Frequently Asked Questions

What is the IUPAC name of 8-methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol?
The IUPAC name of 8-methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol (CID 11369879) is 8-methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol.
What is the SMILES notation for 8-methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol?
The canonical SMILES for 8-methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol is Cc1cccc(C2=NC(O)C(C)C3(CC3)[Se]2)c1.
What is the InChIKey of 8-methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol?
The InChIKey is HJXSIRYZSAHRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NOSe/c1-9-4-3-5-11(8-9)13-15-12(16)10(2)14(17-13)6-7-14/h3-5,8,10,12,16H,6-7H2,1-2H3.
What are the key properties of 8-methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol?
8-methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol has a molecular weight of 294.26 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5-(3-methylphenyl)-4-selena-6-azaspiro[2.5]oct-5-en-7-ol is sourced from PubChem (CID 11369879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).