azane;methyl 1,4-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2-carboxylate;osmium(2+);bis(trifluoromethanesulfonate)

C12H30F6N6O8OsS2 — CID 85415685

About azane;methyl 1,4-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2-carboxylate;osmium(2+);bis(trifluoromethanesulfonate)

azane;methyl 1,4-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2-carboxylate;osmium(2+);bis(trifluoromethanesulfonate) (PubChem CID 85415685) has the molecular formula C12H30F6N6O8OsS2 and a molecular weight of 754.76 g/mol. Its IUPAC name is azane;methyl 1,4-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2-carboxylate;osmium(2+);bis(trifluoromethanesulfonate).

Molecular Properties

• Compound Name: azane;methyl 1,4-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2-carboxylate;osmium(2+);bis(trifluoromethanesulfonate)
• PubChem CID: 85415685
• Molecular Formula: C12H30F6N6O8OsS2
• Molecular Weight: 754.76 g/mol
• Exact Mass: 756.11
• IUPAC Name: azane;methyl 1,4-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2-carboxylate;osmium(2+);bis(trifluoromethanesulfonate)
• SMILES: COC(=O)C1CC2(C)C=CC1(C)N2.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2]
• InChI: InChI=1S/C10H15NO2.2CHF3O3S.5H3N.Os/c1-9-4-5-10(2,11-9)7(6-9)8(12)13-3;2*2-1(3,4)8(5,6)7;;;;;;/h4-5,7,11H,6H2,1-3H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
• InChIKey: NHLGWLYUPSPZPW-UHFFFAOYSA-L
• XLogP: 1.77
• TPSA: 327.73 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 1
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	754.76
LogP ≤ 5	1.77
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azane;methyl 1,4-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2-carboxylate;osmium(2+);bis(trifluoromethanesulfonate)?

The IUPAC name of azane;methyl 1,4-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2-carboxylate;osmium(2+);bis(trifluoromethanesulfonate) (CID 85415685) is azane;methyl 1,4-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2-carboxylate;osmium(2+);bis(trifluoromethanesulfonate).

What is the SMILES notation for azane;methyl 1,4-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2-carboxylate;osmium(2+);bis(trifluoromethanesulfonate)?

The canonical SMILES for azane;methyl 1,4-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2-carboxylate;osmium(2+);bis(trifluoromethanesulfonate) is COC(=O)C1CC2(C)C=CC1(C)N2.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2].

What is the InChIKey of azane;methyl 1,4-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2-carboxylate;osmium(2+);bis(trifluoromethanesulfonate)?

The InChIKey is NHLGWLYUPSPZPW-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H15NO2.2CHF3O3S.5H3N.Os/c1-9-4-5-10(2,11-9)7(6-9)8(12)13-3;2*2-1(3,4)8(5,6)7;;;;;;/h4-5,7,11H,6H2,1-3H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2.

What are the key properties of azane;methyl 1,4-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2-carboxylate;osmium(2+);bis(trifluoromethanesulfonate)?

azane;methyl 1,4-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2-carboxylate;osmium(2+);bis(trifluoromethanesulfonate) has a molecular weight of 754.76 g/mol, XLogP of 1.77, 1 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for azane;methyl 1,4-dimethyl-7-azabicyclo[2.2.1]hept-5-ene-2-carboxylate;osmium(2+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 85415685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).