methyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate

C14H18N2O2 — CID 59300643

IUPACmethyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate
SMILESCOC(=O)c1cnc2c(n1)C1CCC2(C)C1(C)C
InChIInChI=1S/C14H18N2O2/c1-13(2)8-5-6-14(13,3)11-10(8)16-9(7-15-11)12(17)18-4/h7-8H,5-6H2,1-4H3
InChIKeyWJVWIAFJRBLHKZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.44
Rot. Bonds1

About methyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate

methyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate (PubChem CID 59300643) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate.

Molecular Properties

Compound Namemethyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate
PubChem CID59300643
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Namemethyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate
SMILESCOC(=O)c1cnc2c(n1)C1CCC2(C)C1(C)C
InChIInChI=1S/C14H18N2O2/c1-13(2)8-5-6-14(13,3)11-10(8)16-9(7-15-11)12(17)18-4/h7-8H,5-6H2,1-4H3
InChIKeyWJVWIAFJRBLHKZ-UHFFFAOYSA-N
XLogP2.44
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate?
The IUPAC name of methyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate (CID 59300643) is methyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate.
What is the SMILES notation for methyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate?
The canonical SMILES for methyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate is COC(=O)c1cnc2c(n1)C1CCC2(C)C1(C)C.
What is the InChIKey of methyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate?
The InChIKey is WJVWIAFJRBLHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-13(2)8-5-6-14(13,3)11-10(8)16-9(7-15-11)12(17)18-4/h7-8H,5-6H2,1-4H3.
What are the key properties of methyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate?
methyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate has a molecular weight of 246.31 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8,11,11-trimethyl-3,6-diazatricyclo[6.2.1.02,7]undeca-2,4,6-triene-4-carboxylate is sourced from PubChem (CID 59300643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).