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

C16H21NO — CID 135005231

IUPAC4-(2,4,6-trimethylphenyl)-2-oxa-3-azaspiro[4.4]non-3-ene
SMILESCc1cc(C)c(C2=NOCC23CCCC3)c(C)c1
InChIInChI=1S/C16H21NO/c1-11-8-12(2)14(13(3)9-11)15-16(10-18-17-15)6-4-5-7-16/h8-9H,4-7,10H2,1-3H3
InChIKeyJFEXIWDNDHMNDG-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.91
Rot. Bonds1

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

4-(2,4,6-trimethylphenyl)-2-oxa-3-azaspiro[4.4]non-3-ene (PubChem CID 135005231) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(2,4,6-trimethylphenyl)-2-oxa-3-azaspiro[4.4]non-3-ene.

Molecular Properties

Compound Name4-(2,4,6-trimethylphenyl)-2-oxa-3-azaspiro[4.4]non-3-ene
PubChem CID135005231
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-(2,4,6-trimethylphenyl)-2-oxa-3-azaspiro[4.4]non-3-ene
SMILESCc1cc(C)c(C2=NOCC23CCCC3)c(C)c1
InChIInChI=1S/C16H21NO/c1-11-8-12(2)14(13(3)9-11)15-16(10-18-17-15)6-4-5-7-16/h8-9H,4-7,10H2,1-3H3
InChIKeyJFEXIWDNDHMNDG-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
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
(E)-5-tert-butyl-N-ethoxy-7-fluoro-2,3-dihydroinden-1-imine
CID 126653154
3-Mesityl-4,5-dihydroisoxazole
CID 902257
4-Isopropylbenzylisoxazoline
CID 129799794
Tert-butylbenzyl-4,5-dihydroisoxazole
CID 129875530
3-(4-Phenyl)-5-(4-t-butyl)-phenyl-2-isoxazoline
CID 134817927
3-(2,4,6-Trimethylphenyl)-1-oxa-2-azaspiro[4.4]non-2-ene
CID 135003834
4-Phenyl-3-(2,4,6-trimethylphenyl)-4,5-dihydro-1,2-oxazole
CID 135005230
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

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethylphenyl)-2-oxa-3-azaspiro[4.4]non-3-ene?
The IUPAC name of 4-(2,4,6-trimethylphenyl)-2-oxa-3-azaspiro[4.4]non-3-ene (CID 135005231) is 4-(2,4,6-trimethylphenyl)-2-oxa-3-azaspiro[4.4]non-3-ene.
What is the SMILES notation for 4-(2,4,6-trimethylphenyl)-2-oxa-3-azaspiro[4.4]non-3-ene?
The canonical SMILES for 4-(2,4,6-trimethylphenyl)-2-oxa-3-azaspiro[4.4]non-3-ene is Cc1cc(C)c(C2=NOCC23CCCC3)c(C)c1.
What is the InChIKey of 4-(2,4,6-trimethylphenyl)-2-oxa-3-azaspiro[4.4]non-3-ene?
The InChIKey is JFEXIWDNDHMNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-11-8-12(2)14(13(3)9-11)15-16(10-18-17-15)6-4-5-7-16/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 4-(2,4,6-trimethylphenyl)-2-oxa-3-azaspiro[4.4]non-3-ene?
4-(2,4,6-trimethylphenyl)-2-oxa-3-azaspiro[4.4]non-3-ene has a molecular weight of 243.35 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethylphenyl)-2-oxa-3-azaspiro[4.4]non-3-ene is sourced from PubChem (CID 135005231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).