3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one

C18H23NO2 — CID 59930873

IUPAC3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one
SMILESCc1ccc(C2=C(O)C3(CCCCC3C)NC2=O)c(C)c1
InChIInChI=1S/C18H23NO2/c1-11-7-8-14(12(2)10-11)15-16(20)18(19-17(15)21)9-5-4-6-13(18)3/h7-8,10,13,20H,4-6,9H2,1-3H3,(H,19,21)
InChIKeyWGPCJJJHQICHAF-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.65
Rot. Bonds1

About 3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one

3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 59930873) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID59930873
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one
SMILESCc1ccc(C2=C(O)C3(CCCCC3C)NC2=O)c(C)c1
InChIInChI=1S/C18H23NO2/c1-11-7-8-14(12(2)10-11)15-16(20)18(19-17(15)21)9-5-4-6-13(18)3/h7-8,10,13,20H,4-6,9H2,1-3H3,(H,19,21)
InChIKeyWGPCJJJHQICHAF-UHFFFAOYSA-N
XLogP3.65
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,4-dimethylphenyl)-4,8-dihydroxy-1-azaspiro[4.5]dec-3-en-2-one
CID 59076163
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
(5S,6R)-3-[(2,5-dimethylphenyl)methyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7181629
3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 143485126
N-[(2,4-dimethylphenyl)methyl]-N-methyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 8943432
(2,5-dimethylphenyl)methyl 2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7469843
(5R,6R)-6-methyl-3-[(3-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40898355
(3-methylphenyl)methyl 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7480653
[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethyl] 2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetate
CID 7629714
3-(2,4-dichlorophenyl)-4-hydroxy-1-azaspiro[4.4]non-3-en-2-one
CID 171483099
4-(2,4-dimethylphenyl)-5-hydroxy-2,2,6,6-tetramethylpyran-3-one
CID 144649358

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one (CID 59930873) is 3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one is Cc1ccc(C2=C(O)C3(CCCCC3C)NC2=O)c(C)c1.
What is the InChIKey of 3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is WGPCJJJHQICHAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-11-7-8-14(12(2)10-11)15-16(20)18(19-17(15)21)9-5-4-6-13(18)3/h7-8,10,13,20H,4-6,9H2,1-3H3,(H,19,21).
What are the key properties of 3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one?
3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dimethylphenyl)-4-hydroxy-6-methyl-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 59930873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).