lithium;alumane;8-amino-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one;tert-butyl N-(2-bromoethyl)carbamate;deuterio(fluoro)methane;ethyl 1-(2-aminoethyl)-5-nitroindole-2-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;methane;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-amine;2-methyl-8-nitro-3,4-dihydropyrazino[1,2-a]indol-1-one;8-nitro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

C100H128AlBrF2LiN21O23 — CID 161204976

About lithium;alumane;8-amino-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one;tert-butyl N-(2-bromoethyl)carbamate;deuterio(fluoro)methane;ethyl 1-(2-aminoethyl)-5-nitroindole-2-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;methane;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-amine;2-methyl-8-nitro-3,4-dihydropyrazino[1,2-a]indol-1-one;8-nitro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one

lithium;alumane;8-amino-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one;tert-butyl N-(2-bromoethyl)carbamate;deuterio(fluoro)methane;ethyl 1-(2-aminoethyl)-5-nitroindole-2-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;methane;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-amine;2-methyl-8-nitro-3,4-dihydropyrazino[1,2-a]indol-1-one;8-nitro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (PubChem CID 161204976) has the molecular formula C100H128AlBrF2LiN21O23 and a molecular weight of 2146.08 g/mol. Its IUPAC name is lithium;alumane;8-amino-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one;tert-butyl N-(2-bromoethyl)carbamate;deuterio(fluoro)methane;ethyl 1-(2-aminoethyl)-5-nitroindole-2-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;methane;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-amine;2-methyl-8-nitro-3,4-dihydropyrazino[1,2-a]indol-1-one;8-nitro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

Molecular Properties

• Compound Name: lithium;alumane;8-amino-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one;tert-butyl N-(2-bromoethyl)carbamate;deuterio(fluoro)methane;ethyl 1-(2-aminoethyl)-5-nitroindole-2-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;methane;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-amine;2-methyl-8-nitro-3,4-dihydropyrazino[1,2-a]indol-1-one;8-nitro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
• PubChem CID: 161204976
• Molecular Formula: C100H128AlBrF2LiN21O23
• Molecular Weight: 2146.08 g/mol
• Exact Mass: 2143.87
• IUPAC Name: lithium;alumane;8-amino-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one;tert-butyl N-(2-bromoethyl)carbamate;deuterio(fluoro)methane;ethyl 1-(2-aminoethyl)-5-nitroindole-2-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;methane;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-amine;2-methyl-8-nitro-3,4-dihydropyrazino[1,2-a]indol-1-one;8-nitro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
• SMILES: C.C.CC(C)(C)OC(=O)NCCBr.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2n1CCN.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2n1CCNC(=O)OC(C)(C)C.CN1CCn2c(cc3cc(N)ccc32)C1.CN1CCn2c(cc3cc(N)ccc32)C1=O.CN1CCn2c(cc3cc([N+](=O)[O-])ccc32)C1=O.O=C1NCCn2c1cc1cc([N+](=O)[O-])ccc12.[2H]CF.[2H]CF.[AlH3].[H-].[Li+]
• InChI: InChI=1S/C18H23N3O6.C13H15N3O4.C12H11N3O3.C12H13N3O.C12H15N3.C11H9N3O3.C11H10N2O4.C7H14BrNO2.2CH3F.2CH4.Al.Li.4H/c1-5-26-16(22)15-11-12-10-13(21(24)25)6-7-14(12)20(15)9-8-19-17(23)27-18(2,3)4;1-2-20-13(17)12-8-9-7-10(16(18)19)3-4-11(9)15(12)6-5-14;1-13-4-5-14-10-3-2-9(15(17)18)6-8(10)7-11(14)12(13)16;1-14-4-5-15-10-3-2-9(13)6-8(10)7-11(15)12(14)16;1-14-4-5-15-11(8-14)7-9-6-10(13)2-3-12(9)15;15-11-10-6-7-5-8(14(16)17)1-2-9(7)13(10)4-3-12-11;1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;1-7(2,3)11-6(10)9-5-4-8;2*1-2;;;;;;;;/h6-7,10-11H,5,8-9H2,1-4H3,(H,19,23);3-4,7-8H,2,5-6,14H2,1H3;2-3,6-7H,4-5H2,1H3;2-3,6-7H,4-5,13H2,1H3;2-3,6-7H,4-5,8,13H2,1H3;1-2,5-6H,3-4H2,(H,12,15);3-6,12H,2H2,1H3;4-5H2,1-3H3,(H,9,10);2*1H3;2*1H4;;;;;;/q;;;;;;;;;;;;;+1;;;;-1/i;;;;;;;;2*1D
• InChIKey: KBVFJWQUOALLIM-WPDQFSGVSA-N
• XLogP: 13.38
• TPSA: 567.65 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2146.08
LogP ≤ 5	13.38
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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 lithium;alumane;8-amino-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one;tert-butyl N-(2-bromoethyl)carbamate;deuterio(fluoro)methane;ethyl 1-(2-aminoethyl)-5-nitroindole-2-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;methane;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-amine;2-methyl-8-nitro-3,4-dihydropyrazino[1,2-a]indol-1-one;8-nitro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?

The IUPAC name of lithium;alumane;8-amino-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one;tert-butyl N-(2-bromoethyl)carbamate;deuterio(fluoro)methane;ethyl 1-(2-aminoethyl)-5-nitroindole-2-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;methane;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-amine;2-methyl-8-nitro-3,4-dihydropyrazino[1,2-a]indol-1-one;8-nitro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one (CID 161204976) is lithium;alumane;8-amino-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one;tert-butyl N-(2-bromoethyl)carbamate;deuterio(fluoro)methane;ethyl 1-(2-aminoethyl)-5-nitroindole-2-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;methane;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-amine;2-methyl-8-nitro-3,4-dihydropyrazino[1,2-a]indol-1-one;8-nitro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one.

What is the SMILES notation for lithium;alumane;8-amino-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one;tert-butyl N-(2-bromoethyl)carbamate;deuterio(fluoro)methane;ethyl 1-(2-aminoethyl)-5-nitroindole-2-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;methane;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-amine;2-methyl-8-nitro-3,4-dihydropyrazino[1,2-a]indol-1-one;8-nitro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?

The canonical SMILES for lithium;alumane;8-amino-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one;tert-butyl N-(2-bromoethyl)carbamate;deuterio(fluoro)methane;ethyl 1-(2-aminoethyl)-5-nitroindole-2-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;methane;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-amine;2-methyl-8-nitro-3,4-dihydropyrazino[1,2-a]indol-1-one;8-nitro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is C.C.CC(C)(C)OC(=O)NCCBr.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2n1CCN.CCOC(=O)c1cc2cc([N+](=O)[O-])ccc2n1CCNC(=O)OC(C)(C)C.CN1CCn2c(cc3cc(N)ccc32)C1.CN1CCn2c(cc3cc(N)ccc32)C1=O.CN1CCn2c(cc3cc([N+](=O)[O-])ccc32)C1=O.O=C1NCCn2c1cc1cc([N+](=O)[O-])ccc12.[2H]CF.[2H]CF.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;8-amino-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one;tert-butyl N-(2-bromoethyl)carbamate;deuterio(fluoro)methane;ethyl 1-(2-aminoethyl)-5-nitroindole-2-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;methane;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-amine;2-methyl-8-nitro-3,4-dihydropyrazino[1,2-a]indol-1-one;8-nitro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?

The InChIKey is KBVFJWQUOALLIM-WPDQFSGVSA-N. The full InChI is InChI=1S/C18H23N3O6.C13H15N3O4.C12H11N3O3.C12H13N3O.C12H15N3.C11H9N3O3.C11H10N2O4.C7H14BrNO2.2CH3F.2CH4.Al.Li.4H/c1-5-26-16(22)15-11-12-10-13(21(24)25)6-7-14(12)20(15)9-8-19-17(23)27-18(2,3)4;1-2-20-13(17)12-8-9-7-10(16(18)19)3-4-11(9)15(12)6-5-14;1-13-4-5-14-10-3-2-9(15(17)18)6-8(10)7-11(14)12(13)16;1-14-4-5-15-10-3-2-9(13)6-8(10)7-11(15)12(14)16;1-14-4-5-15-11(8-14)7-9-6-10(13)2-3-12(9)15;15-11-10-6-7-5-8(14(16)17)1-2-9(7)13(10)4-3-12-11;1-2-17-11(14)10-6-7-5-8(13(15)16)3-4-9(7)12-10;1-7(2,3)11-6(10)9-5-4-8;2*1-2;;;;;;;;/h6-7,10-11H,5,8-9H2,1-4H3,(H,19,23);3-4,7-8H,2,5-6,14H2,1H3;2-3,6-7H,4-5H2,1H3;2-3,6-7H,4-5,13H2,1H3;2-3,6-7H,4-5,8,13H2,1H3;1-2,5-6H,3-4H2,(H,12,15);3-6,12H,2H2,1H3;4-5H2,1-3H3,(H,9,10);2*1H3;2*1H4;;;;;;/q;;;;;;;;;;;;;+1;;;;-1/i;;;;;;;;2*1D;;;;;;;;.

What are the key properties of lithium;alumane;8-amino-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one;tert-butyl N-(2-bromoethyl)carbamate;deuterio(fluoro)methane;ethyl 1-(2-aminoethyl)-5-nitroindole-2-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;methane;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-amine;2-methyl-8-nitro-3,4-dihydropyrazino[1,2-a]indol-1-one;8-nitro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one?

lithium;alumane;8-amino-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one;tert-butyl N-(2-bromoethyl)carbamate;deuterio(fluoro)methane;ethyl 1-(2-aminoethyl)-5-nitroindole-2-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;methane;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-amine;2-methyl-8-nitro-3,4-dihydropyrazino[1,2-a]indol-1-one;8-nitro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one has a molecular weight of 2146.08 g/mol, XLogP of 13.38, 18 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;8-amino-2-methyl-3,4-dihydropyrazino[1,2-a]indol-1-one;tert-butyl N-(2-bromoethyl)carbamate;deuterio(fluoro)methane;ethyl 1-(2-aminoethyl)-5-nitroindole-2-carboxylate;ethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-5-nitroindole-2-carboxylate;ethyl 5-nitro-1H-indole-2-carboxylate;hydride;methane;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]indol-8-amine;2-methyl-8-nitro-3,4-dihydropyrazino[1,2-a]indol-1-one;8-nitro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 161204976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).