4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium

C18H22NO2Y- — CID 59226740

IUPAC4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium
SMILESCOC1=C(c2c[c-]ccc2C)C(=O)NC12CCC(C)CC2.[Y]
InChIInChI=1S/C18H22NO2.Y/c1-12-8-10-18(11-9-12)16(21-3)15(17(20)19-18)14-7-5-4-6-13(14)2;/h4,6-7,12H,8-11H2,1-3H3,(H,19,20);/q-1;
InChIKeyOAMJKIFKGIBHMB-UHFFFAOYSA-N
MW373.29 g/mol
LogP3.23
Rot. Bonds2

About 4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium

4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium (PubChem CID 59226740) has the molecular formula C18H22NO2Y- and a molecular weight of 373.29 g/mol. Its IUPAC name is 4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium.

Molecular Properties

Compound Name4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium
PubChem CID59226740
Molecular FormulaC18H22NO2Y-
Molecular Weight373.29 g/mol
Exact Mass373.07
IUPAC Name4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium
SMILESCOC1=C(c2c[c-]ccc2C)C(=O)NC12CCC(C)CC2.[Y]
InChIInChI=1S/C18H22NO2.Y/c1-12-8-10-18(11-9-12)16(21-3)15(17(20)19-18)14-7-5-4-6-13(14)2;/h4,6-7,12H,8-11H2,1-3H3,(H,19,20);/q-1;
InChIKeyOAMJKIFKGIBHMB-UHFFFAOYSA-N
XLogP3.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium with MolForge

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Launch Full Analysis

Related Compounds

ethyl [3-(4-methoxy-2,6-dimethylphenyl)-8-methyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] carbonate
CID 59930864
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] cyclopropanecarboxylate
CID 59141990
[3-(2,5-dimethylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate;ethane
CID 143608016
3-(2-ethyl-6-methoxy-4-methylphenyl)-4,8-dimethoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 143193302
3-(2-bromo-5-methylphenyl)-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 143485126
3-[3-(4-chlorophenyl)-2,6-dimethylphenyl]-4-hydroxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 54689456
3-(2,5-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 169451318
[3-(4-chloro-2-methoxy-6-methylphenyl)-8-methoxy-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] ethyl carbonate
CID 59758675
[3-(2,6-diethyl-4-methylphenyl)-8-methyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl] methanesulfonate
CID 59538243
(3,8-dimethyl-2-oxo-1-azaspiro[4.5]dec-3-en-4-yl) 2,2-dimethylpropanoate
CID 54008647
3-[5-(4-chlorophenyl)-2-methylphenyl]-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 59614606
1-methoxy-2-(2,3,4,6-tetramethylphenyl)-9,12-dioxa-4-azadispiro[4.2.48.25]tetradec-1-en-3-one
CID 158136448

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium?
The IUPAC name of 4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium (CID 59226740) is 4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium.
What is the SMILES notation for 4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium?
The canonical SMILES for 4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium is COC1=C(c2c[c-]ccc2C)C(=O)NC12CCC(C)CC2.[Y].
What is the InChIKey of 4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium?
The InChIKey is OAMJKIFKGIBHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22NO2.Y/c1-12-8-10-18(11-9-12)16(21-3)15(17(20)19-18)14-7-5-4-6-13(14)2;/h4,6-7,12H,8-11H2,1-3H3,(H,19,20);/q-1;.
What are the key properties of 4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium?
4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium has a molecular weight of 373.29 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-8-methyl-3-(2-methylbenzene-5-id-1-yl)-1-azaspiro[4.5]dec-3-en-2-one;yttrium is sourced from PubChem (CID 59226740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).