7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione

C107H88Br4N10O10 — CID 159234194

About 7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione

7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione (PubChem CID 159234194) has the molecular formula C107H88Br4N10O10 and a molecular weight of 1993.56 g/mol. Its IUPAC name is 7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione.

Molecular Properties

• Compound Name: 7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione
• PubChem CID: 159234194
• Molecular Formula: C107H88Br4N10O10
• Molecular Weight: 1993.56 g/mol
• Exact Mass: 1988.34
• IUPAC Name: 7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione
• SMILES: C=CCn1cc(C(=O)C(=O)OC)c2cccc(Br)c21.C=CCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)CC2=O)c2cccc(Br)c21.C=CCn1cc([C@@H]2C(=O)CC(=O)[C@H]2c2c[nH]c3ccccc23)c2cccc(Br)c21.C=CCn1ccc2cccc(Br)c21.NC(=O)Cc1c[nH]c2ccccc12.O=C1CC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12
• InChI: InChI=1S/C24H19BrN2O2.C24H17BrN2O2.C24H20N2O2.C14H12BrNO3.C11H10BrN.C10H10N2O/c2*1-2-10-27-13-17(15-7-5-8-18(25)24(15)27)23-21(29)11-20(28)22(23)16-12-26-19-9-4-3-6-14(16)19;27-20-11-21(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;1-3-7-16-8-10(13(17)14(18)19-2)9-5-4-6-11(15)12(9)16;1-2-7-13-8-6-9-4-3-5-10(12)11(9)13;11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h2-9,12-13,22-23,26H,1,10-11H2;2-9,12-13,26H,1,10-11H2;1-3,5,7-9,12-13,22-23,25H,4,6,10-11H2;3-6,8H,1,7H2,2H3;2-6,8H,1,7H2;1-4,6,12H,5H2,(H2,11,13)/t22-,23-;;22-,23-;;;/m1.1.../s1
• InChIKey: KTGPYGRRORUADL-IVMSTDHKSA-N
• XLogP: 23.21
• TPSA: 276.69 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 131
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1993.56
LogP ≤ 5	23.21
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione?

The IUPAC name of 7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione (CID 159234194) is 7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione.

What is the SMILES notation for 7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione?

The canonical SMILES for 7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione is C=CCn1cc(C(=O)C(=O)OC)c2cccc(Br)c21.C=CCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)CC2=O)c2cccc(Br)c21.C=CCn1cc([C@@H]2C(=O)CC(=O)[C@H]2c2c[nH]c3ccccc23)c2cccc(Br)c21.C=CCn1ccc2cccc(Br)c21.NC(=O)Cc1c[nH]c2ccccc12.O=C1CC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12.

What is the InChIKey of 7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione?

The InChIKey is KTGPYGRRORUADL-IVMSTDHKSA-N. The full InChI is InChI=1S/C24H19BrN2O2.C24H17BrN2O2.C24H20N2O2.C14H12BrNO3.C11H10BrN.C10H10N2O/c2*1-2-10-27-13-17(15-7-5-8-18(25)24(15)27)23-21(29)11-20(28)22(23)16-12-26-19-9-4-3-6-14(16)19;27-20-11-21(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;1-3-7-16-8-10(13(17)14(18)19-2)9-5-4-6-11(15)12(9)16;1-2-7-13-8-6-9-4-3-5-10(12)11(9)13;11-10(13)5-7-6-12-9-4-2-1-3-8(7)9/h2-9,12-13,22-23,26H,1,10-11H2;2-9,12-13,26H,1,10-11H2;1-3,5,7-9,12-13,22-23,25H,4,6,10-11H2;3-6,8H,1,7H2,2H3;2-6,8H,1,7H2;1-4,6,12H,5H2,(H2,11,13)/t22-,23-;;22-,23-;;;/m1.1.../s1.

What are the key properties of 7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione?

7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione has a molecular weight of 1993.56 g/mol, XLogP of 23.21, 18 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione is sourced from PubChem (CID 159234194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).