3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol

C18H25NO2 — CID 141200524

IUPAC3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol
SMILESCOC1CCC2(CC1)NCC(c1cc(C)ccc1C)=C2O
InChIInChI=1S/C18H25NO2/c1-12-4-5-13(2)15(10-12)16-11-19-18(17(16)20)8-6-14(21-3)7-9-18/h4-5,10,14,19-20H,6-9,11H2,1-3H3
InChIKeyJEWBPUFBXIVAEN-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.50
Rot. Bonds2

About 3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol

3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol (PubChem CID 141200524) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is 3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol.

Molecular Properties

Compound Name3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol
PubChem CID141200524
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Name3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol
SMILESCOC1CCC2(CC1)NCC(c1cc(C)ccc1C)=C2O
InChIInChI=1S/C18H25NO2/c1-12-4-5-13(2)15(10-12)16-11-19-18(17(16)20)8-6-14(21-3)7-9-18/h4-5,10,14,19-20H,6-9,11H2,1-3H3
InChIKeyJEWBPUFBXIVAEN-UHFFFAOYSA-N
XLogP3.50
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 169451318
3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1,10-diazaspiro[4.5]dec-3-en-2-one
CID 154021954
1-(2,5-dimethylphenyl)-4-methoxycyclohexan-1-ol
CID 113414594
[4-(2,5-dimethylphenyl)-9-methoxy-3-oxa-1-azaspiro[5.5]undec-4-en-5-yl] ethyl carbonate
CID 71079165
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
CID 59141990
ethyl 3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-ene-4-carboxylate
CID 142775888
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate;ethane
CID 143608016
3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 59614606
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-1-yl] ethyl carbonate
CID 91612500
2-(2,5-dimethylphenyl)-N-(4-methoxy-1-methylcyclohexyl)acetamide
CID 130242276
4-hydroxy-8-methoxy-3-(2,3,4,6-tetramethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
CID 54712648
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-oxaspiro[4.5]dec-3-en-4-yl] 2-methylpropyl carbonate
CID 18710417

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol?
The IUPAC name of 3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol (CID 141200524) is 3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol.
What is the SMILES notation for 3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol?
The canonical SMILES for 3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol is COC1CCC2(CC1)NCC(c1cc(C)ccc1C)=C2O.
What is the InChIKey of 3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol?
The InChIKey is JEWBPUFBXIVAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-12-4-5-13(2)15(10-12)16-11-19-18(17(16)20)8-6-14(21-3)7-9-18/h4-5,10,14,19-20H,6-9,11H2,1-3H3.
What are the key properties of 3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol?
3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol has a molecular weight of 287.40 g/mol, XLogP of 3.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylphenyl)-8-methoxy-1-azaspiro[4.5]dec-3-en-4-ol is sourced from PubChem (CID 141200524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).