3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene

C16H21NO — CID 135003834

IUPAC3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene
SMILESCc1cc(C)c(C2=NOC3(CCCC3)C2)c(C)c1
InChIInChI=1S/C16H21NO/c1-11-8-12(2)15(13(3)9-11)14-10-16(18-17-14)6-4-5-7-16/h8-9H,4-7,10H2,1-3H3
InChIKeyQDWCOZIXQRFNNO-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.05
Rot. Bonds1

About 3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene

3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene (PubChem CID 135003834) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene
PubChem CID135003834
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene
SMILESCc1cc(C)c(C2=NOC3(CCCC3)C2)c(C)c1
InChIInChI=1S/C16H21NO/c1-11-8-12(2)15(13(3)9-11)14-10-16(18-17-14)6-4-5-7-16/h8-9H,4-7,10H2,1-3H3
InChIKeyQDWCOZIXQRFNNO-UHFFFAOYSA-N
XLogP4.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(Difluoromethylidene)-3-(2,4,6-trimethylphenyl)-1,2-oxazole
CID 13582992
5-(difluoromethylidene)-3-(2,4,6-trimethylphenyl)-4H-1,2-oxazole
CID 134922223
3-methyl-5-(trifluoromethyl)-5-(3,4,5-trimethylphenyl)-4H-1,2-oxazole
CID 91304788
3-(3,4-dimethylphenyl)-5-(3-methylbenzene-5-id-1-yl)-5-(trifluoromethyl)-4H-1,2-oxazole;ethane;uranium
CID 172339450
3-Mesityl-4,5-dihydroisoxazole
CID 902257
4-Phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole
CID 135005230
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-(2,6-Dimethylphenyl)-4,5-dihydro-1,2-oxazole
CID 164668359
3-(2,5-Dimethylphenyl)-4,5-dihydro-1,2-oxazole
CID 164668525
2-Isoxazoline, 3-mesityl-5-(2-methyl-1-propenyl)-
CID 557722
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 3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene?
The IUPAC name of 3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene (CID 135003834) is 3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene.
What is the SMILES notation for 3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene?
The canonical SMILES for 3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene is Cc1cc(C)c(C2=NOC3(CCCC3)C2)c(C)c1.
What is the InChIKey of 3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene?
The InChIKey is QDWCOZIXQRFNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11-8-12(2)15(13(3)9-11)14-10-16(18-17-14)6-4-5-7-16/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene?
3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene has a molecular weight of 243.35 g/mol, XLogP of 4.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene is sourced from PubChem (CID 135003834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).