10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene

C18H21NO — CID 10659489

IUPAC10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene
SMILESCc1cc(C)c(C2=NOC3(C2)C2(CC2)C32CC2)c(C)c1
InChIInChI=1S/C18H21NO/c1-11-8-12(2)15(13(3)9-11)14-10-18(20-19-14)16(4-5-16)17(18)6-7-17/h8-9H,4-7,10H2,1-3H3
InChIKeyFFYKLTLTMIQWFY-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.05
Rot. Bonds1

About 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene

10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene (PubChem CID 10659489) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene.

Molecular Properties

Compound Name10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene
PubChem CID10659489
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene
SMILESCc1cc(C)c(C2=NOC3(C2)C2(CC2)C32CC2)c(C)c1
InChIInChI=1S/C18H21NO/c1-11-8-12(2)15(13(3)9-11)14-10-18(20-19-14)16(4-5-16)17(18)6-7-17/h8-9H,4-7,10H2,1-3H3
InChIKeyFFYKLTLTMIQWFY-UHFFFAOYSA-N
XLogP4.05
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene with MolForge

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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
9-(2,4,6-Trimethylphenyl)-7-oxa-8-azadispiro[2.0.24.33]non-8-ene
CID 10800153

Frequently Asked Questions

What is the IUPAC name of 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene?
The IUPAC name of 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene (CID 10659489) is 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene.
What is the SMILES notation for 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene?
The canonical SMILES for 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene is Cc1cc(C)c(C2=NOC3(C2)C2(CC2)C32CC2)c(C)c1.
What is the InChIKey of 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene?
The InChIKey is FFYKLTLTMIQWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-11-8-12(2)15(13(3)9-11)14-10-18(20-19-14)16(4-5-16)17(18)6-7-17/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene?
10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene has a molecular weight of 267.37 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 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatrispiro[2.0.24.0.47.03]undec-9-ene is sourced from PubChem (CID 10659489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).