azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)

C12H33F6N5O8OsS2 — CID 10919704

IUPACazane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)
SMILESCOC(=O)C(C)(C)C1C=CCC1.N.N.N.N.N.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Os]
InChIInChI=1S/C10H16O2.2CHF3O3S.5H3N.Os/c1-10(2,9(11)12-3)8-6-4-5-7-8;2*2-1(3,4)8(5,6)7;;;;;;/h4,6,8H,5,7H2,1-3H3;2*(H,5,6,7);5*1H3;
InChIKeyAFPXQZCQRSAPBK-UHFFFAOYSA-N
MW743.77 g/mol
LogP3.75
Rot. Bonds2

About azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)

azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid) (PubChem CID 10919704) has the molecular formula C12H33F6N5O8OsS2 and a molecular weight of 743.77 g/mol. Its IUPAC name is azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid).

Molecular Properties

Compound Nameazane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)
PubChem CID10919704
Molecular FormulaC12H33F6N5O8OsS2
Molecular Weight743.77 g/mol
Exact Mass745.13
IUPAC Nameazane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)
SMILESCOC(=O)C(C)(C)C1C=CCC1.N.N.N.N.N.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Os]
InChIInChI=1S/C10H16O2.2CHF3O3S.5H3N.Os/c1-10(2,9(11)12-3)8-6-4-5-7-8;2*2-1(3,4)8(5,6)7;;;;;;/h4,6,8H,5,7H2,1-3H3;2*(H,5,6,7);5*1H3;
InChIKeyAFPXQZCQRSAPBK-UHFFFAOYSA-N
XLogP3.75
TPSA310.04 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500743.77
LogP ≤ 53.75
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

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'}

Analyze azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate
CID 10919705
3-cyclopent-2-en-1-yl-3-methylbutan-2-one
CID 13127866
dimethyl 2-acetyloxy-2-[(1R)-cyclopent-2-en-1-yl]propanedioate
CID 11821201
azane;methyl 2-[(1R,4S)-4-(methoxymethyl)cyclopent-2-en-1-yl]-2-methylpropanoate;osmium(2+);bis(trifluoromethanesulfonate)
CID 135047348
dimethyl 2-cyclopent-2-en-1-yl-2-pent-4-enylpropanedioate
CID 132553067
2-(cyclopent-2-ene-1-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 121311778
2-chloro-2-cyclopent-2-en-1-ylpropanoic acid
CID 155057251
1,1,1-trifluoro-2,3-dimethoxy-3-oxopropane-2-sulfonic acid
CID 118534734
azane;osmium;tris(trifluoromethanesulfonic acid)
CID 85298772
dimethyl 2-cyclohex-2-en-1-yl-2-(3-methylbuta-1,2-dienyl)propanedioate
CID 12000438
methyl (2R)-2-amino-3-bromo-3,3-difluoro-2-methylpropanoate
CID 15939140
diethyl 2-[(Z)-2-bromo-2-tert-butylsulfonylethenyl]-2-cyclopent-2-en-1-ylpropanedioate
CID 134936946

Frequently Asked Questions

What is the IUPAC name of azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)?
The IUPAC name of azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid) (CID 10919704) is azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid).
What is the SMILES notation for azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)?
The canonical SMILES for azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid) is COC(=O)C(C)(C)C1C=CCC1.N.N.N.N.N.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Os].
What is the InChIKey of azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)?
The InChIKey is AFPXQZCQRSAPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2.2CHF3O3S.5H3N.Os/c1-10(2,9(11)12-3)8-6-4-5-7-8;2*2-1(3,4)8(5,6)7;;;;;;/h4,6,8H,5,7H2,1-3H3;2*(H,5,6,7);5*1H3;.
What are the key properties of azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid)?
azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid) has a molecular weight of 743.77 g/mol, XLogP of 3.75, 2 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl 2-cyclopent-2-en-1-yl-2-methylpropanoate;osmium;bis(trifluoromethanesulfonic acid) is sourced from PubChem (CID 10919704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).