10-(2,4,6-trimethylphenyl)-8-oxa-9-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene

C17H19NO — CID 561711

IUPAC10-(2,4,6-trimethylphenyl)-8-oxa-9-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene
SMILESCc1cc(C)c(C2=NOC3CC4C5C4C5C23)c(C)c1
InChIInChI=1S/C17H19NO/c1-7-4-8(2)12(9(3)5-7)17-15-11(19-18-17)6-10-13-14(10)16(13)15/h4-5,10-11,13-16H,6H2,1-3H3
InChIKeyDKKUWHLYVVFISV-UHFFFAOYSA-N
MW253.34 g/mol
LogP3.23
Rot. Bonds1

About 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene

10-(2,4,6-trimethylphenyl)-8-oxa-9-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene (PubChem CID 561711) has the molecular formula C17H19NO and a molecular weight of 253.34 g/mol. Its IUPAC name is 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene.

Molecular Properties

Compound Name10-(2,4,6-trimethylphenyl)-8-oxa-9-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene
PubChem CID561711
Molecular FormulaC17H19NO
Molecular Weight253.34 g/mol
Exact Mass253.15
IUPAC Name10-(2,4,6-trimethylphenyl)-8-oxa-9-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene
SMILESCc1cc(C)c(C2=NOC3CC4C5C4C5C23)c(C)c1
InChIInChI=1S/C17H19NO/c1-7-4-8(2)12(9(3)5-7)17-15-11(19-18-17)6-10-13-14(10)16(13)15/h4-5,10-11,13-16H,6H2,1-3H3
InChIKeyDKKUWHLYVVFISV-UHFFFAOYSA-N
XLogP3.23
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene with MolForge

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Related Compounds

3-Naphthalen-1-yl-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 71451463
3-[4-Methyl-3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
CID 163672586
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
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
3-Ethyl-7,8-dimethyl-3,3a,4,5-tetrahydrobenzo[g][2,1]benzoxazole
CID 58957903
(1R,5R,6S,7R)-6,7-dimethyl-4-(2,4,6-trimethylphenyl)-2-oxa-3-azabicyclo[3.2.0]hept-3-ene
CID 10514398
(1R,5R,6R,7S)-6,7-dimethyl-4-(2,4,6-trimethylphenyl)-2-oxa-3-azabicyclo[3.2.0]hept-3-ene
CID 10657877
(3aR,11bS)-3-(2,4,6-trimethylphenyl)-3a,11b-dihydrophenanthro[9,10-d][1,2]oxazole
CID 11290726
3-Mesityl-3a,4,7,7a-tetrahydro-1,2-benzisoxazole
CID 13485486
(1S,5S,6S,7R)-6,7-dimethyl-4-(2,4,6-trimethylphenyl)-2-oxa-3-azabicyclo[3.2.0]hept-3-ene
CID 15417042

Frequently Asked Questions

What is the IUPAC name of 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene?
The IUPAC name of 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene (CID 561711) is 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene.
What is the SMILES notation for 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene?
The canonical SMILES for 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene is Cc1cc(C)c(C2=NOC3CC4C5C4C5C23)c(C)c1.
What is the InChIKey of 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene?
The InChIKey is DKKUWHLYVVFISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO/c1-7-4-8(2)12(9(3)5-7)17-15-11(19-18-17)6-10-13-14(10)16(13)15/h4-5,10-11,13-16H,6H2,1-3H3.
What are the key properties of 10-(2,4,6-trimethylphenyl)-8-oxa-9-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene?
10-(2,4,6-trimethylphenyl)-8-oxa-9-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene has a molecular weight of 253.34 g/mol, XLogP of 3.23, 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-azatetracyclo[5.3.0.02,4.03,5]dec-9-ene is sourced from PubChem (CID 561711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).