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

C171H148N10O33 — CID 157375012

About (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]piperidine-2,6-dione;(4S)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-1,3-dione;(4R)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-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-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]piperidine-2,6-dione;(4S)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-1,3-dione;(4R)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-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 157375012) has the molecular formula C171H148N10O33 and a molecular weight of 2871.10 g/mol. Its IUPAC name is (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]piperidine-2,6-dione;(4S)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-1,3-dione;(4R)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-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-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]piperidine-2,6-dione;(4S)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-1,3-dione;(4R)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-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: 157375012
• Molecular Formula: C171H148N10O33
• Molecular Weight: 2871.10 g/mol
• Exact Mass: 2869.02
• IUPAC Name: (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]piperidine-2,6-dione;(4S)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-1,3-dione;(4R)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-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)NC4=O)c32)c1.CN(C)CCOc1ccc2c3c(ccc2c1)CC=C3[C@H]1CCC(=O)NC1=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)C1.O=C1CC[C@@H](c2coc3ccc4ccoc4c23)C(=O)N1.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)C1.O=C1CC[C@H](c2coc3ccc4ccoc4c23)C(=O)N1
• InChI: InChI=1S/C22H24N2O3.C21H22N2O4.2C17H15NO2.2C16H13NO3.2C16H12O4.2C15H11NO4/c1-24(2)11-12-27-16-6-8-17-15(13-16)4-3-14-5-7-18(21(14)17)19-9-10-20(25)23-22(19)26;1-23(2)9-10-26-14-4-5-15-13(11-14)3-7-18-20(15)17(12-27-18)16-6-8-19(24)22-21(16)25;2*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*17-10-2-3-11(13(18)7-10)12-8-20-14-4-1-9-5-6-19-16(9)15(12)14;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/h3-4,6-8,13,19H,5,9-12H2,1-2H3,(H,23,25,26);3-5,7,11-12,16H,6,8-10H2,1-2H3,(H,22,24,25);2*2,4,6-8,12,18H,1,3,5,9H2;2*3-6,8,10,17H,1-2,7H2;2*1,4-6,8,11H,2-3,7H2;2*1,3,5-7,9H,2,4H2,(H,16,17,18)/t19-;16-;2*12-;2*10-;2*11-;2*9-/m1010101010/s1
• InChIKey: BKFKSHUDWCWLPS-IXRIMXHISA-N
• XLogP: 31.12
• TPSA: 622.16 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 18
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2871.10
LogP ≤ 5	31.12
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

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-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]piperidine-2,6-dione;(4S)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-1,3-dione;(4R)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-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-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]piperidine-2,6-dione;(4S)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-1,3-dione;(4R)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-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 157375012) is (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]piperidine-2,6-dione;(4S)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-1,3-dione;(4R)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-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-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]piperidine-2,6-dione;(4S)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-1,3-dione;(4R)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-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-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]piperidine-2,6-dione;(4S)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-1,3-dione;(4R)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-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)NC4=O)c32)c1.CN(C)CCOc1ccc2c3c(ccc2c1)CC=C3[C@H]1CCC(=O)NC1=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)C1.O=C1CC[C@@H](c2coc3ccc4ccoc4c23)C(=O)N1.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)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-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]piperidine-2,6-dione;(4S)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-1,3-dione;(4R)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-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 BKFKSHUDWCWLPS-IXRIMXHISA-N. The full InChI is InChI=1S/C22H24N2O3.C21H22N2O4.2C17H15NO2.2C16H13NO3.2C16H12O4.2C15H11NO4/c1-24(2)11-12-27-16-6-8-17-15(13-16)4-3-14-5-7-18(21(14)17)19-9-10-20(25)23-22(19)26;1-23(2)9-10-26-14-4-5-15-13(11-14)3-7-18-20(15)17(12-27-18)16-6-8-19(24)22-21(16)25;2*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*17-10-2-3-11(13(18)7-10)12-8-20-14-4-1-9-5-6-19-16(9)15(12)14;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/h3-4,6-8,13,19H,5,9-12H2,1-2H3,(H,23,25,26);3-5,7,11-12,16H,6,8-10H2,1-2H3,(H,22,24,25);2*2,4,6-8,12,18H,1,3,5,9H2;2*3-6,8,10,17H,1-2,7H2;2*1,4-6,8,11H,2-3,7H2;2*1,3,5-7,9H,2,4H2,(H,16,17,18)/t19-;16-;2*12-;2*10-;2*11-;2*9-/m1010101010/s1.

What are the key properties of (4S)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(4R)-4-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]piperidine-2,6-dione;(4S)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-1,3-dione;(4R)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-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-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]piperidine-2,6-dione;(4S)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-1,3-dione;(4R)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-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 2871.10 g/mol, XLogP of 31.12, 18 rotatable bonds, 8 hydrogen bond donors, and 35 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-(3,6-dihydrocyclopenta[e]indol-8-yl)cyclohexane-1,3-dione;(3S)-3-[7-[2-(dimethylamino)ethoxy]benzo[e][1]benzofuran-1-yl]piperidine-2,6-dione;(3R)-3-[7-[2-(dimethylamino)ethoxy]-3H-cyclopenta[a]naphthalen-1-yl]piperidine-2,6-dione;(4S)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-1,3-dione;(4R)-4-furo[2,3-e][1]benzofuran-8-ylcyclohexane-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 157375012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).