potassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane

C56H58KN5O8 — CID 157167900

IUPACpotassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane
SMILESC1CCOC1.CC(C)(C)[O-].COC(=O)C(=O)c1cn2c3c(cccc13)CCC2.NC(=O)Cc1c[nH]c2ccccc12.O=C1CC(=O)C(c2cn3c4c(cccc24)CCC3)=C1c1c[nH]c2ccccc12.[K+]
InChIInChI=1S/C24H18N2O2.C14H13NO3.C10H10N2O.C4H8O.C4H9O.K/c27-20-11-21(28)23(22(20)17-12-25-19-9-2-1-7-15(17)19)18-13-26-10-4-6-14-5-3-8-16(18)24(14)26;1-18-14(17)13(16)11-8-15-7-3-5-9-4-2-6-10(11)12(9)15;11-10(13)5-7-6-12-9-4-2-1-3-8(7)9;1-2-4-5-3-1;1-4(2,3)5;/h1-3,5,7-9,12-13,25H,4,6,10-11H2;2,4,6,8H,3,5,7H2,1H3;1-4,6,12H,5H2,(H2,11,13);1-4H2;1-3H3;/q;;;;-1;+1
InChIKeyANDBAZFUVKKXTH-UHFFFAOYSA-N
MW968.20 g/mol
LogP5.61
Rot. Bonds6

About potassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane

potassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane (PubChem CID 157167900) has the molecular formula C56H58KN5O8 and a molecular weight of 968.20 g/mol. Its IUPAC name is potassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane.

Molecular Properties

Compound Namepotassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane
PubChem CID157167900
Molecular FormulaC56H58KN5O8
Molecular Weight968.20 g/mol
Exact Mass967.39
IUPAC Namepotassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane
SMILESC1CCOC1.CC(C)(C)[O-].COC(=O)C(=O)c1cn2c3c(cccc13)CCC2.NC(=O)Cc1c[nH]c2ccccc12.O=C1CC(=O)C(c2cn3c4c(cccc24)CCC3)=C1c1c[nH]c2ccccc12.[K+]
InChIInChI=1S/C24H18N2O2.C14H13NO3.C10H10N2O.C4H8O.C4H9O.K/c27-20-11-21(28)23(22(20)17-12-25-19-9-2-1-7-15(17)19)18-13-26-10-4-6-14-5-3-8-16(18)24(14)26;1-18-14(17)13(16)11-8-15-7-3-5-9-4-2-6-10(11)12(9)15;11-10(13)5-7-6-12-9-4-2-1-3-8(7)9;1-2-4-5-3-1;1-4(2,3)5;/h1-3,5,7-9,12-13,25H,4,6,10-11H2;2,4,6,8H,3,5,7H2,1H3;1-4,6,12H,5H2,(H2,11,13);1-4H2;1-3H3;/q;;;;-1;+1
InChIKeyANDBAZFUVKKXTH-UHFFFAOYSA-N
XLogP5.61
TPSA194.33 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500968.20
LogP ≤ 55.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze potassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane?
The IUPAC name of potassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane (CID 157167900) is potassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane.
What is the SMILES notation for potassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane?
The canonical SMILES for potassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane is C1CCOC1.CC(C)(C)[O-].COC(=O)C(=O)c1cn2c3c(cccc13)CCC2.NC(=O)Cc1c[nH]c2ccccc12.O=C1CC(=O)C(c2cn3c4c(cccc24)CCC3)=C1c1c[nH]c2ccccc12.[K+].
What is the InChIKey of potassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane?
The InChIKey is ANDBAZFUVKKXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N2O2.C14H13NO3.C10H10N2O.C4H8O.C4H9O.K/c27-20-11-21(28)23(22(20)17-12-25-19-9-2-1-7-15(17)19)18-13-26-10-4-6-14-5-3-8-16(18)24(14)26;1-18-14(17)13(16)11-8-15-7-3-5-9-4-2-6-10(11)12(9)15;11-10(13)5-7-6-12-9-4-2-1-3-8(7)9;1-2-4-5-3-1;1-4(2,3)5;/h1-3,5,7-9,12-13,25H,4,6,10-11H2;2,4,6,8H,3,5,7H2,1H3;1-4,6,12H,5H2,(H2,11,13);1-4H2;1-3H3;/q;;;;-1;+1.
What are the key properties of potassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane?
potassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane has a molecular weight of 968.20 g/mol, XLogP of 5.61, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-oxoacetate;2-methylpropan-2-olate;oxolane is sourced from PubChem (CID 157167900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).