9-(2,4,6-trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene

C16H19NO — CID 10800153

IUPAC9-(2,4,6-trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene
SMILESCc1cc(C)c(C2=NOC3(CC3)C23CC3)c(C)c1
InChIInChI=1S/C16H19NO/c1-10-8-11(2)13(12(3)9-10)14-15(4-5-15)16(6-7-16)18-17-14/h8-9H,4-7H2,1-3H3
InChIKeyCQCZDWNYKQVBGK-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.66
Rot. Bonds1

About 9-(2,4,6-trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene

9-(2,4,6-trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene (PubChem CID 10800153) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 9-(2,4,6-trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene.

Molecular Properties

Compound Name9-(2,4,6-trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene
PubChem CID10800153
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name9-(2,4,6-trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene
SMILESCc1cc(C)c(C2=NOC3(CC3)C23CC3)c(C)c1
InChIInChI=1S/C16H19NO/c1-10-8-11(2)13(12(3)9-10)14-15(4-5-15)16(6-7-16)18-17-14/h8-9H,4-7H2,1-3H3
InChIKeyCQCZDWNYKQVBGK-UHFFFAOYSA-N
XLogP3.66
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole
CID 134922223
3-Mesityl-4,5-dihydroisoxazole
CID 902257
3-(2,4,6-Trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene
CID 135003834
4-(2,4,6-Trimethylphenyl)-2-oxa-3-azaspiro[4.4]non-3-ene
CID 135005231
2-Isoxazoline, 3-mesityl-5-(2-methyl-1-propenyl)-
CID 557722
10-Phenyl-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene
CID 10632963
10-(2,4,6-Trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene
CID 10659489
7-(2,4,6-Trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-ene
CID 10911689
1,1,2,2-Tetramethyl-6-(2,4,6-trimethylphenyl)-4-oxa-5-azaspiro[2.4]hept-5-ene
CID 15072425
7-Phenyl-5-oxa-6-azadispiro[2.0.44.13]non-6-ene
CID 15401500
3-(4-Tert-butylphenyl)-7,7,9,9-tetramethyl-1-oxa-2-azaspiro[4.5]dec-2-ene
CID 11976296
3-(3,4-Dimethylphenyl)-4,4,5-trimethyl-1,2-oxazol-5-ide;rhodium
CID 57581032

Frequently Asked Questions

What is the IUPAC name of 9-(2,4,6-trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene?
The IUPAC name of 9-(2,4,6-trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene (CID 10800153) is 9-(2,4,6-trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene.
What is the SMILES notation for 9-(2,4,6-trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene?
The canonical SMILES for 9-(2,4,6-trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene is Cc1cc(C)c(C2=NOC3(CC3)C23CC3)c(C)c1.
What is the InChIKey of 9-(2,4,6-trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene?
The InChIKey is CQCZDWNYKQVBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-10-8-11(2)13(12(3)9-10)14-15(4-5-15)16(6-7-16)18-17-14/h8-9H,4-7H2,1-3H3.
What are the key properties of 9-(2,4,6-trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene?
9-(2,4,6-trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene has a molecular weight of 241.33 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4,6-trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene is sourced from PubChem (CID 10800153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).