4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium)

C124H163F10N5O45Rf5S5-10 — CID 158645416

IUPAC4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium)
SMILESCC(=O)N1CC2C3CCC(C3)C2C1=O.CC(C)(C)C(=O)N1CC2C3CCC(C3)C2C1=O.CC(C)C(=O)N1CC2C3CCC(C3)C2C1=O.CCC(=O)N1CC2C3CCC(C3)C2C1=O.CCC(C)C(=O)N1CC2C3CCC(C3)C2C1=O.COC(=O)C1C2CCC(C2)C1C(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)C1C2CCC(C2)C1C(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)C1C2CCC(C2)C1C(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)C1C2CCC(C2)C1C(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)C1C2CCC(C2)C1C(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].[Rf].[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/2C14H21NO2.C13H19NO2.5C12H15F2O7S.C12H17NO2.C11H15NO2.5Rf/c1-14(2,3)13(17)15-7-10-8-4-5-9(6-8)11(10)12(15)16;1-3-8(2)13(16)15-7-11-9-4-5-10(6-9)12(11)14(15)17;1-7(2)12(15)14-6-10-8-3-4-9(5-8)11(10)13(14)16;5*1-20-10(15)8-6-2-3-7(4-6)9(8)11(16)21-5-12(13,14)22(17,18)19;1-2-10(14)13-6-9-7-3-4-8(5-7)11(9)12(13)15;1-6(13)12-5-9-7-2-3-8(4-7)10(9)11(12)14;;;;;/h8-11H,4-7H2,1-3H3;8-12H,3-7H2,1-2H3;7-11H,3-6H2,1-2H3;5*5-9H,2-4H2,1H3,(H,17,18,19);7-9,11H,2-6H2,1H3;7-10H,2-5H2,1H3;;;;;/q;;;5*-1;;;;;;;/p-5
InChIKeyDLWQUYBMWBQNQX-UHFFFAOYSA-I
MW4128.97 g/mol
LogP11.59
Rot. Bonds29

About 4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium)

4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium) (PubChem CID 158645416) has the molecular formula C124H163F10N5O45Rf5S5-10 and a molecular weight of 4128.97 g/mol. Its IUPAC name is 4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium).

Molecular Properties

Compound Name4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium)
PubChem CID158645416
Molecular FormulaC124H163F10N5O45Rf5S5-10
Molecular Weight4128.97 g/mol
Exact Mass4127.52
IUPAC Name4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium)
SMILESCC(=O)N1CC2C3CCC(C3)C2C1=O.CC(C)(C)C(=O)N1CC2C3CCC(C3)C2C1=O.CC(C)C(=O)N1CC2C3CCC(C3)C2C1=O.CCC(=O)N1CC2C3CCC(C3)C2C1=O.CCC(C)C(=O)N1CC2C3CCC(C3)C2C1=O.COC(=O)C1C2CCC(C2)C1C(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)C1C2CCC(C2)C1C(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)C1C2CCC(C2)C1C(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)C1C2CCC(C2)C1C(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)C1C2CCC(C2)C1C(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].[Rf].[Rf].[Rf].[Rf].[Rf]
InChIInChI=1S/2C14H21NO2.C13H19NO2.5C12H15F2O7S.C12H17NO2.C11H15NO2.5Rf/c1-14(2,3)13(17)15-7-10-8-4-5-9(6-8)11(10)12(15)16;1-3-8(2)13(16)15-7-11-9-4-5-10(6-9)12(11)14(15)17;1-7(2)12(15)14-6-10-8-3-4-9(5-8)11(10)13(14)16;5*1-20-10(15)8-6-2-3-7(4-6)9(8)11(16)21-5-12(13,14)22(17,18)19;1-2-10(14)13-6-9-7-3-4-8(5-7)11(9)12(13)15;1-6(13)12-5-9-7-2-3-8(4-7)10(9)11(12)14;;;;;/h8-11H,4-7H2,1-3H3;8-12H,3-7H2,1-2H3;7-11H,3-6H2,1-2H3;5*5-9H,2-4H2,1H3,(H,17,18,19);7-9,11H,2-6H2,1H3;7-10H,2-5H2,1H3;;;;;/q;;;5*-1;;;;;;;/p-5
InChIKeyDLWQUYBMWBQNQX-UHFFFAOYSA-I
XLogP11.59
TPSA735.90 Ų
H-Bond Donors
H-Bond Acceptors45
Rotatable Bonds29
Heavy Atoms194
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004128.97
LogP ≤ 511.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium)?
The IUPAC name of 4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium) (CID 158645416) is 4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium).
What is the SMILES notation for 4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium)?
The canonical SMILES for 4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium) is CC(=O)N1CC2C3CCC(C3)C2C1=O.CC(C)(C)C(=O)N1CC2C3CCC(C3)C2C1=O.CC(C)C(=O)N1CC2C3CCC(C3)C2C1=O.CCC(=O)N1CC2C3CCC(C3)C2C1=O.CCC(C)C(=O)N1CC2C3CCC(C3)C2C1=O.COC(=O)C1C2CCC(C2)C1C(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)C1C2CCC(C2)C1C(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)C1C2CCC(C2)C1C(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)C1C2CCC(C2)C1C(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].COC(=O)C1C2CCC(C2)C1C(=O)O[CH-]C(F)(F)S(=O)(=O)[O-].[Rf].[Rf].[Rf].[Rf].[Rf].
What is the InChIKey of 4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium)?
The InChIKey is DLWQUYBMWBQNQX-UHFFFAOYSA-I. The full InChI is InChI=1S/2C14H21NO2.C13H19NO2.5C12H15F2O7S.C12H17NO2.C11H15NO2.5Rf/c1-14(2,3)13(17)15-7-10-8-4-5-9(6-8)11(10)12(15)16;1-3-8(2)13(16)15-7-11-9-4-5-10(6-9)12(11)14(15)17;1-7(2)12(15)14-6-10-8-3-4-9(5-8)11(10)13(14)16;5*1-20-10(15)8-6-2-3-7(4-6)9(8)11(16)21-5-12(13,14)22(17,18)19;1-2-10(14)13-6-9-7-3-4-8(5-7)11(9)12(13)15;1-6(13)12-5-9-7-2-3-8(4-7)10(9)11(12)14;;;;;/h8-11H,4-7H2,1-3H3;8-12H,3-7H2,1-2H3;7-11H,3-6H2,1-2H3;5*5-9H,2-4H2,1H3,(H,17,18,19);7-9,11H,2-6H2,1H3;7-10H,2-5H2,1H3;;;;;/q;;;5*-1;;;;;;;/p-5.
What are the key properties of 4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium)?
4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium) has a molecular weight of 4128.97 g/mol, XLogP of 11.59, 29 rotatable bonds, 0 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(1,1-difluoro-2-(3-methoxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxyethanesulfonate);4-(2,2-dimethylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylbutanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-(2-methylpropanoyl)-4-azatricyclo[5.2.1.02,6]decan-3-one;4-propanoyl-4-azatricyclo[5.2.1.02,6]decan-3-one;pentakis(rutherfordium) is sourced from PubChem (CID 158645416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).