azane;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate)

C7H22F6N6O6OsS2 — CID 11006820

IUPACazane;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate)
SMILESCn1cccc1.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2]
InChIInChI=1S/C5H7N.2CHF3O3S.5H3N.Os/c1-6-4-2-3-5-6;2*2-1(3,4)8(5,6)7;;;;;;/h2-5H,1H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKeyPWOUQXICYABJQT-UHFFFAOYSA-L
MW654.64 g/mol
LogP1.94
Rot. Bonds

About azane;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate)

azane;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate) (PubChem CID 11006820) has the molecular formula C7H22F6N6O6OsS2 and a molecular weight of 654.64 g/mol. Its IUPAC name is azane;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate).

Molecular Properties

Compound Nameazane;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate)
PubChem CID11006820
Molecular FormulaC7H22F6N6O6OsS2
Molecular Weight654.64 g/mol
Exact Mass656.06
IUPAC Nameazane;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate)
SMILESCn1cccc1.N.N.N.N.N.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Os+2]
InChIInChI=1S/C5H7N.2CHF3O3S.5H3N.Os/c1-6-4-2-3-5-6;2*2-1(3,4)8(5,6)7;;;;;;/h2-5H,1H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2
InChIKeyPWOUQXICYABJQT-UHFFFAOYSA-L
XLogP1.94
TPSA294.33 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500654.64
LogP ≤ 51.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate)?
The IUPAC name of azane;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate) (CID 11006820) is azane;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate).
What is the SMILES notation for azane;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate)?
The canonical SMILES for azane;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate) is Cn1cccc1.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;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate)?
The InChIKey is PWOUQXICYABJQT-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H7N.2CHF3O3S.5H3N.Os/c1-6-4-2-3-5-6;2*2-1(3,4)8(5,6)7;;;;;;/h2-5H,1H3;2*(H,5,6,7);5*1H3;/q;;;;;;;;+2/p-2.
What are the key properties of azane;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate)?
azane;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate) has a molecular weight of 654.64 g/mol, XLogP of 1.94, 0 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-methylpyrrole;osmium(2+);bis(trifluoromethanesulfonate) is sourced from PubChem (CID 11006820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).