(4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]cyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione

C146H134N8O27 — CID 158211483

About (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]cyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione

(4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]cyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione (PubChem CID 158211483) has the molecular formula C146H134N8O27 and a molecular weight of 2432.71 g/mol. Its IUPAC name is (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]cyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione.

Molecular Properties

• Compound Name: (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]cyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione
• PubChem CID: 158211483
• Molecular Formula: C146H134N8O27
• Molecular Weight: 2432.71 g/mol
• Exact Mass: 2430.94
• IUPAC Name: (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]cyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione
• SMILES: CN(C)CCOc1ccc2c(ccc3occ([C@@H]4CCC(=O)CC4=O)c32)c1.CN(C)CCOc1ccc2c(ccc3occ([C@H]4CCC(=O)CC4=O)c32)c1.CN(C)CCOc1ccc2c3c(ccc2c1)CC=C3[C@H]1CCC(=O)CC1=O.O=C1CC[C@@H](C2=CCc3ccc4[nH]ccc4c32)C(=O)C1.O=C1CC[C@@H](c2coc3ccc4[nH]ccc4c23)C(=O)C1.O=C1CC[C@@H](c2coc3ccc4ccoc4c23)C(=O)N1.O=C1CC[C@H](c2coc3ccc4[nH]ccc4c23)C(=O)C1.O=C1CC[C@H](c2coc3ccc4ccoc4c23)C(=O)N1
• InChI: InChI=1S/C23H25NO3.2C22H23NO4.C17H15NO2.2C16H13NO3.2C15H11NO4/c1-24(2)11-12-27-18-7-10-19-16(13-18)4-3-15-5-8-21(23(15)19)20-9-6-17(25)14-22(20)26;2*1-23(2)9-10-26-16-5-7-17-14(11-16)3-8-21-22(17)19(13-27-21)18-6-4-15(24)12-20(18)25;19-11-3-5-12(16(20)9-11)13-4-1-10-2-6-15-14(17(10)13)7-8-18-15;2*18-9-1-2-10(14(19)7-9)12-8-20-15-4-3-13-11(16(12)15)5-6-17-13;2*17-12-4-2-9(15(18)16-12)10-7-20-11-3-1-8-5-6-19-14(8)13(10)11/h3-4,7-8,10,13,20H,5-6,9,11-12,14H2,1-2H3;2*3,5,7-8,11,13,18H,4,6,9-10,12H2,1-2H3;2,4,6-8,12,18H,1,3,5,9H2;2*3-6,8,10,17H,1-2,7H2;2*1,3,5-7,9H,2,4H2,(H,16,17,18)/t20-;2*18-;12-;2*10-;2*9-/m11001010/s1
• InChIKey: GCDBVVSAVXGBIG-VTICQSAYSA-N
• XLogP: 26.61
• TPSA: 487.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2432.71
LogP ≤ 5	26.61
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]cyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione?

The IUPAC name of (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]cyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione (CID 158211483) is (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]cyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione.

What is the SMILES notation for (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]cyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione?

The canonical SMILES for (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]cyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione is CN(C)CCOc1ccc2c(ccc3occ([C@@H]4CCC(=O)CC4=O)c32)c1.CN(C)CCOc1ccc2c(ccc3occ([C@H]4CCC(=O)CC4=O)c32)c1.CN(C)CCOc1ccc2c3c(ccc2c1)CC=C3[C@H]1CCC(=O)CC1=O.O=C1CC[C@@H](C2=CCc3ccc4[nH]ccc4c32)C(=O)C1.O=C1CC[C@@H](c2coc3ccc4[nH]ccc4c23)C(=O)C1.O=C1CC[C@@H](c2coc3ccc4ccoc4c23)C(=O)N1.O=C1CC[C@H](c2coc3ccc4[nH]ccc4c23)C(=O)C1.O=C1CC[C@H](c2coc3ccc4ccoc4c23)C(=O)N1.

What is the InChIKey of (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]cyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione?

The InChIKey is GCDBVVSAVXGBIG-VTICQSAYSA-N. The full InChI is InChI=1S/C23H25NO3.2C22H23NO4.C17H15NO2.2C16H13NO3.2C15H11NO4/c1-24(2)11-12-27-18-7-10-19-16(13-18)4-3-15-5-8-21(23(15)19)20-9-6-17(25)14-22(20)26;2*1-23(2)9-10-26-16-5-7-17-14(11-16)3-8-21-22(17)19(13-27-21)18-6-4-15(24)12-20(18)25;19-11-3-5-12(16(20)9-11)13-4-1-10-2-6-15-14(17(10)13)7-8-18-15;2*18-9-1-2-10(14(19)7-9)12-8-20-15-4-3-13-11(16(12)15)5-6-17-13;2*17-12-4-2-9(15(18)16-12)10-7-20-11-3-1-8-5-6-19-14(8)13(10)11/h3-4,7-8,10,13,20H,5-6,9,11-12,14H2,1-2H3;2*3,5,7-8,11,13,18H,4,6,9-10,12H2,1-2H3;2,4,6-8,12,18H,1,3,5,9H2;2*3-6,8,10,17H,1-2,7H2;2*1,3,5-7,9H,2,4H2,(H,16,17,18)/t20-;2*18-;12-;2*10-;2*9-/m11001010/s1.

What are the key properties of (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]cyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione?

(4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]cyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione has a molecular weight of 2432.71 g/mol, XLogP of 26.61, 20 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4S)-4-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]cyclohexane-1,3-dione;(4R)-4-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]cyclohexane-1,3-dione;(3S)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(3R)-3-furo[2,3-e][1]benzofuran-8-ylpiperidine-2,6-dione;(4S)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione;(4R)-4-(6H-furo[3,2-e]indol-1-yl)cyclohexane-1,3-dione is sourced from PubChem (CID 158211483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).