7-methyl-3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-6-one

C18H23NO2 — CID 10660811

IUPAC7-methyl-3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-6-one
SMILESCc1cc(C)c(C2=NOC3(CCCC(C)C3=O)C2)c(C)c1
InChIInChI=1S/C18H23NO2/c1-11-8-13(3)16(14(4)9-11)15-10-18(21-19-15)7-5-6-12(2)17(18)20/h8-9,12H,5-7,10H2,1-4H3
InChIKeyURNCTVNQKANGPO-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.86
Rot. Bonds1

About 7-methyl-3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-6-one

7-methyl-3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-6-one (PubChem CID 10660811) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 7-methyl-3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-6-one.

Molecular Properties

Compound Name7-methyl-3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-6-one
PubChem CID10660811
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Name7-methyl-3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-6-one
SMILESCc1cc(C)c(C2=NOC3(CCCC(C)C3=O)C2)c(C)c1
InChIInChI=1S/C18H23NO2/c1-11-8-13(3)16(14(4)9-11)15-10-18(21-19-15)7-5-6-12(2)17(18)20/h8-9,12H,5-7,10H2,1-4H3
InChIKeyURNCTVNQKANGPO-UHFFFAOYSA-N
XLogP3.86
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Tralkoxydim
CID 135492483
4-(1-(Ethoxyimino)propyl)-5-hydroxy-2',4',6'-trimethyl-1,6-dihydro-[1,1'-biphenyl]-3(2H)-one
CID 135474890
2-[(Z)-N-ethoxy-C-ethylcarbonimidoyl]-3-hydroxy-5-(2,4,6-trimethylphenyl)cyclohex-2-en-1-one
CID 135741327
Methyl 3-mesityl-4,5-dihydro-5-isoxazolecarboxylate
CID 14816459
methyl 5-methyl-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole-5-carboxylate
CID 14928632
3-Mesityl-5-methyl-4,5-dihydroisoxazole-5-carboxylic acid
CID 102725073
Methyl 4-methyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 135002765
tert-butyl (4R,5R)-4-(4-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 135005639
ethyl (4R,5R)-4-phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 135006430
ethyl (4R,5R)-4-(4-methylphenyl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxylate
CID 135006501
(3aS,8aS)-3-(2,4,6-trimethylphenyl)-3a,4,5,6,7,8a-hexahydrocyclohepta[d][1,2]oxazol-8-one
CID 168341686
Ethyl 4,5-dihydro-3-mesityl-5-methylisoxazole-5-carboxylate
CID 175666448

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-6-one?
The IUPAC name of 7-methyl-3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-6-one (CID 10660811) is 7-methyl-3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-6-one.
What is the SMILES notation for 7-methyl-3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-6-one?
The canonical SMILES for 7-methyl-3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-6-one is Cc1cc(C)c(C2=NOC3(CCCC(C)C3=O)C2)c(C)c1.
What is the InChIKey of 7-methyl-3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-6-one?
The InChIKey is URNCTVNQKANGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-11-8-13(3)16(14(4)9-11)15-10-18(21-19-15)7-5-6-12(2)17(18)20/h8-9,12H,5-7,10H2,1-4H3.
What are the key properties of 7-methyl-3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-6-one?
7-methyl-3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-6-one has a molecular weight of 285.39 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.5]dec-2-en-6-one is sourced from PubChem (CID 10660811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).