7-(2,4,6-trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-ene

C16H19NO — CID 10911689

IUPAC7-(2,4,6-trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-ene
SMILESCc1cc(C)c(C2=NOC3(C2)CC32CC2)c(C)c1
InChIInChI=1S/C16H19NO/c1-10-6-11(2)14(12(3)7-10)13-8-16(18-17-13)9-15(16)4-5-15/h6-7H,4-5,8-9H2,1-3H3
InChIKeyLFXCLTRMCIPTKD-UHFFFAOYSA-N
MW241.33 g/mol
LogP3.66
Rot. Bonds1

About 7-(2,4,6-trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-ene

7-(2,4,6-trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-ene (PubChem CID 10911689) has the molecular formula C16H19NO and a molecular weight of 241.33 g/mol. Its IUPAC name is 7-(2,4,6-trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-ene.

Molecular Properties

Compound Name7-(2,4,6-trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-ene
PubChem CID10911689
Molecular FormulaC16H19NO
Molecular Weight241.33 g/mol
Exact Mass241.15
IUPAC Name7-(2,4,6-trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-ene
SMILESCc1cc(C)c(C2=NOC3(C2)CC32CC2)c(C)c1
InChIInChI=1S/C16H19NO/c1-10-6-11(2)14(12(3)7-10)13-8-16(18-17-13)9-15(16)4-5-15/h6-7H,4-5,8-9H2,1-3H3
InChIKeyLFXCLTRMCIPTKD-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
5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole
CID 145997984
3-(2,5-Dimethylphenyl)-4,5-dihydro-1,2-oxazole
CID 164668525
2-Isoxazoline, 3-mesityl-5-(2-methyl-1-propenyl)-
CID 557722
5,6,7-Metheno-1,2-benzisoxazole, 3a,4,5,6,7,7a-hexahydro-3-(2,4,6-trimethylphenyl)-
CID 561706
4,5,6-Metheno-1,2-benzisoxazole, 3a,4,5,6,7,7a-hexahydro-3-(2,4,6-trimethylphenyl)-
CID 561711
2-Oxa-3-azabicyclo[3.1.0]hex-3-ene, 1,6,6-trimethyl-4-phenyl-
CID 603834
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

Frequently Asked Questions

What is the IUPAC name of 7-(2,4,6-trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-ene?
The IUPAC name of 7-(2,4,6-trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-ene (CID 10911689) is 7-(2,4,6-trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-ene.
What is the SMILES notation for 7-(2,4,6-trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-ene?
The canonical SMILES for 7-(2,4,6-trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-ene is Cc1cc(C)c(C2=NOC3(C2)CC32CC2)c(C)c1.
What is the InChIKey of 7-(2,4,6-trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-ene?
The InChIKey is LFXCLTRMCIPTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO/c1-10-6-11(2)14(12(3)7-10)13-8-16(18-17-13)9-15(16)4-5-15/h6-7H,4-5,8-9H2,1-3H3.
What are the key properties of 7-(2,4,6-trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-ene?
7-(2,4,6-trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-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 7-(2,4,6-trimethylphenyl)-5-oxa-6-azadispiro[2.0.44.13]non-6-ene is sourced from PubChem (CID 10911689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).