6-O-tert-butyl 2-O-[2-(4-nitrophenyl)ethyl] 7,8-dihydro-3H-pyrrolo[3,2-e]indole-2,6-dicarboxylate;6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;2-(4-nitrophenyl)ethyl 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate

C124H118N18O26 — CID 158549392

About 6-O-tert-butyl 2-O-[2-(4-nitrophenyl)ethyl] 7,8-dihydro-3H-pyrrolo[3,2-e]indole-2,6-dicarboxylate;6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;2-(4-nitrophenyl)ethyl 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate

6-O-tert-butyl 2-O-[2-(4-nitrophenyl)ethyl] 7,8-dihydro-3H-pyrrolo[3,2-e]indole-2,6-dicarboxylate;6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;2-(4-nitrophenyl)ethyl 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate (PubChem CID 158549392) has the molecular formula C124H118N18O26 and a molecular weight of 2276.41 g/mol. Its IUPAC name is 6-O-tert-butyl 2-O-[2-(4-nitrophenyl)ethyl] 7,8-dihydro-3H-pyrrolo[3,2-e]indole-2,6-dicarboxylate;6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;2-(4-nitrophenyl)ethyl 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate.

Molecular Properties

• Compound Name: 6-O-tert-butyl 2-O-[2-(4-nitrophenyl)ethyl] 7,8-dihydro-3H-pyrrolo[3,2-e]indole-2,6-dicarboxylate;6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;2-(4-nitrophenyl)ethyl 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
• PubChem CID: 158549392
• Molecular Formula: C124H118N18O26
• Molecular Weight: 2276.41 g/mol
• Exact Mass: 2274.85
• IUPAC Name: 6-O-tert-butyl 2-O-[2-(4-nitrophenyl)ethyl] 7,8-dihydro-3H-pyrrolo[3,2-e]indole-2,6-dicarboxylate;6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;2-(4-nitrophenyl)ethyl 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)OCCc5ccc([N+](=O)[O-])cc5)cc43)cc21.CC(C)(C)OC(=O)N1CCc2c1ccc1[nH]c(C(=O)O)cc21.CC(C)(C)OC(=O)N1CCc2c1ccc1[nH]c(C(=O)OCCc3ccc([N+](=O)[O-])cc3)cc21.O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cc2c3c(ccc2[nH]1)N(C(=O)c1cc2c4c(ccc2[nH]1)NCC4)CC3.O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cc2c3c(ccc2[nH]1)NCC3
• InChI: InChI=1S/C35H33N5O7.C30H25N5O5.C24H25N3O6.C19H17N3O4.C16H18N2O4/c1-35(2,3)47-34(43)39-16-13-23-24-18-28(36-26(24)9-11-31(23)39)32(41)38-15-12-22-25-19-29(37-27(25)8-10-30(22)38)33(42)46-17-14-20-4-6-21(7-5-20)40(44)45;36-29(26-15-21-19-9-12-31-23(19)5-6-24(21)32-26)34-13-10-20-22-16-27(33-25(22)7-8-28(20)34)30(37)40-14-11-17-1-3-18(4-2-17)35(38)39;1-24(2,3)33-23(29)26-12-10-17-18-14-20(25-19(18)8-9-21(17)26)22(28)32-13-11-15-4-6-16(7-5-15)27(30)31;23-19(26-10-8-12-1-3-13(4-2-12)22(24)25)18-11-15-14-7-9-20-16(14)5-6-17(15)21-18;1-16(2,3)22-15(21)18-7-6-9-10-8-12(14(19)20)17-11(10)4-5-13(9)18/h4-11,18-19,36-37H,12-17H2,1-3H3;1-8,15-16,31-33H,9-14H2;4-9,14,25H,10-13H2,1-3H3;1-6,11,20-21H,7-10H2;4-5,8,17H,6-7H2,1-3H3,(H,19,20)
• InChIKey: HPNIQDANMJPTII-UHFFFAOYSA-N
• XLogP: 22.97
• TPSA: 578.89 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 27
• Rotatable Bonds: 23
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2276.41
LogP ≤ 5	22.97
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-O-tert-butyl 2-O-[2-(4-nitrophenyl)ethyl] 7,8-dihydro-3H-pyrrolo[3,2-e]indole-2,6-dicarboxylate;6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;2-(4-nitrophenyl)ethyl 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate?

The IUPAC name of 6-O-tert-butyl 2-O-[2-(4-nitrophenyl)ethyl] 7,8-dihydro-3H-pyrrolo[3,2-e]indole-2,6-dicarboxylate;6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;2-(4-nitrophenyl)ethyl 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate (CID 158549392) is 6-O-tert-butyl 2-O-[2-(4-nitrophenyl)ethyl] 7,8-dihydro-3H-pyrrolo[3,2-e]indole-2,6-dicarboxylate;6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;2-(4-nitrophenyl)ethyl 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate.

What is the SMILES notation for 6-O-tert-butyl 2-O-[2-(4-nitrophenyl)ethyl] 7,8-dihydro-3H-pyrrolo[3,2-e]indole-2,6-dicarboxylate;6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;2-(4-nitrophenyl)ethyl 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate?

The canonical SMILES for 6-O-tert-butyl 2-O-[2-(4-nitrophenyl)ethyl] 7,8-dihydro-3H-pyrrolo[3,2-e]indole-2,6-dicarboxylate;6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;2-(4-nitrophenyl)ethyl 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate is CC(C)(C)OC(=O)N1CCc2c1ccc1[nH]c(C(=O)N3CCc4c3ccc3[nH]c(C(=O)OCCc5ccc([N+](=O)[O-])cc5)cc43)cc21.CC(C)(C)OC(=O)N1CCc2c1ccc1[nH]c(C(=O)O)cc21.CC(C)(C)OC(=O)N1CCc2c1ccc1[nH]c(C(=O)OCCc3ccc([N+](=O)[O-])cc3)cc21.O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cc2c3c(ccc2[nH]1)N(C(=O)c1cc2c4c(ccc2[nH]1)NCC4)CC3.O=C(OCCc1ccc([N+](=O)[O-])cc1)c1cc2c3c(ccc2[nH]1)NCC3.

What is the InChIKey of 6-O-tert-butyl 2-O-[2-(4-nitrophenyl)ethyl] 7,8-dihydro-3H-pyrrolo[3,2-e]indole-2,6-dicarboxylate;6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;2-(4-nitrophenyl)ethyl 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate?

The InChIKey is HPNIQDANMJPTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5O7.C30H25N5O5.C24H25N3O6.C19H17N3O4.C16H18N2O4/c1-35(2,3)47-34(43)39-16-13-23-24-18-28(36-26(24)9-11-31(23)39)32(41)38-15-12-22-25-19-29(37-27(25)8-10-30(22)38)33(42)46-17-14-20-4-6-21(7-5-20)40(44)45;36-29(26-15-21-19-9-12-31-23(19)5-6-24(21)32-26)34-13-10-20-22-16-27(33-25(22)7-8-28(20)34)30(37)40-14-11-17-1-3-18(4-2-17)35(38)39;1-24(2,3)33-23(29)26-12-10-17-18-14-20(25-19(18)8-9-21(17)26)22(28)32-13-11-15-4-6-16(7-5-15)27(30)31;23-19(26-10-8-12-1-3-13(4-2-12)22(24)25)18-11-15-14-7-9-20-16(14)5-6-17(15)21-18;1-16(2,3)22-15(21)18-7-6-9-10-8-12(14(19)20)17-11(10)4-5-13(9)18/h4-11,18-19,36-37H,12-17H2,1-3H3;1-8,15-16,31-33H,9-14H2;4-9,14,25H,10-13H2,1-3H3;1-6,11,20-21H,7-10H2;4-5,8,17H,6-7H2,1-3H3,(H,19,20).

What are the key properties of 6-O-tert-butyl 2-O-[2-(4-nitrophenyl)ethyl] 7,8-dihydro-3H-pyrrolo[3,2-e]indole-2,6-dicarboxylate;6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;2-(4-nitrophenyl)ethyl 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate?

6-O-tert-butyl 2-O-[2-(4-nitrophenyl)ethyl] 7,8-dihydro-3H-pyrrolo[3,2-e]indole-2,6-dicarboxylate;6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;2-(4-nitrophenyl)ethyl 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate has a molecular weight of 2276.41 g/mol, XLogP of 22.97, 23 rotatable bonds, 10 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-O-tert-butyl 2-O-[2-(4-nitrophenyl)ethyl] 7,8-dihydro-3H-pyrrolo[3,2-e]indole-2,6-dicarboxylate;6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylic acid;2-(4-nitrophenyl)ethyl 6-[6-[(2-methylpropan-2-yl)oxycarbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carbonyl]-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 6-(3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carbonyl)-7,8-dihydro-3H-pyrrolo[3,2-e]indole-2-carboxylate;2-(4-nitrophenyl)ethyl 3,6,7,8-tetrahydropyrrolo[3,2-e]indole-2-carboxylate is sourced from PubChem (CID 158549392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).