lithium;(1S)-1-amino-N-methyl-2,3-dihydro-1H-indene-4-carboxamide;tert-butyl N-[(1S)-4-(methylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]carbamate;diiodomethane;diiodovanadium;ethane;iodoform;iodomethane;iodomethane;methanamine;methyl (1S)-1-(chloroamino)-2,3-dihydro-1H-indene-4-carboxylate;(1S)-N-methyl-1-(methylamino)-2,3-dihydro-1H-indene-4-carboxamide;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylate;(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid;triiodovanadium;vanadium;dihydroxide;hydrochloride

C98H156Cl2I12LiN10O17V3-2 — CID 160540941

About lithium;(1S)-1-amino-N-methyl-2,3-dihydro-1H-indene-4-carboxamide;tert-butyl N-[(1S)-4-(methylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]carbamate;diiodomethane;diiodovanadium;ethane;iodoform;iodomethane;iodomethane;methanamine;methyl (1S)-1-(chloroamino)-2,3-dihydro-1H-indene-4-carboxylate;(1S)-N-methyl-1-(methylamino)-2,3-dihydro-1H-indene-4-carboxamide;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylate;(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid;triiodovanadium;vanadium;dihydroxide;hydrochloride

lithium;(1S)-1-amino-N-methyl-2,3-dihydro-1H-indene-4-carboxamide;tert-butyl N-[(1S)-4-(methylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]carbamate;diiodomethane;diiodovanadium;ethane;iodoform;iodomethane;iodomethane;methanamine;methyl (1S)-1-(chloroamino)-2,3-dihydro-1H-indene-4-carboxylate;(1S)-N-methyl-1-(methylamino)-2,3-dihydro-1H-indene-4-carboxamide;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylate;(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid;triiodovanadium;vanadium;dihydroxide;hydrochloride (PubChem CID 160540941) has the molecular formula C98H156Cl2I12LiN10O17V3-2 and a molecular weight of 3499.91 g/mol. Its IUPAC name is lithium;(1S)-1-amino-N-methyl-2,3-dihydro-1H-indene-4-carboxamide;tert-butyl N-[(1S)-4-(methylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]carbamate;diiodomethane;diiodovanadium;ethane;iodoform;iodomethane;iodomethane;methanamine;methyl (1S)-1-(chloroamino)-2,3-dihydro-1H-indene-4-carboxylate;(1S)-N-methyl-1-(methylamino)-2,3-dihydro-1H-indene-4-carboxamide;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylate;(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid;triiodovanadium;vanadium;dihydroxide;hydrochloride.

Molecular Properties

• Compound Name: lithium;(1S)-1-amino-N-methyl-2,3-dihydro-1H-indene-4-carboxamide;tert-butyl N-[(1S)-4-(methylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]carbamate;diiodomethane;diiodovanadium;ethane;iodoform;iodomethane;iodomethane;methanamine;methyl (1S)-1-(chloroamino)-2,3-dihydro-1H-indene-4-carboxylate;(1S)-N-methyl-1-(methylamino)-2,3-dihydro-1H-indene-4-carboxamide;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylate;(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid;triiodovanadium;vanadium;dihydroxide;hydrochloride
• PubChem CID: 160540941
• Molecular Formula: C98H156Cl2I12LiN10O17V3-2
• Molecular Weight: 3499.91 g/mol
• Exact Mass: 3497.81
• IUPAC Name: lithium;(1S)-1-amino-N-methyl-2,3-dihydro-1H-indene-4-carboxamide;tert-butyl N-[(1S)-4-(methylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]carbamate;diiodomethane;diiodovanadium;ethane;iodoform;iodomethane;iodomethane;methanamine;methyl (1S)-1-(chloroamino)-2,3-dihydro-1H-indene-4-carboxylate;(1S)-N-methyl-1-(methylamino)-2,3-dihydro-1H-indene-4-carboxamide;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylate;(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid;triiodovanadium;vanadium;dihydroxide;hydrochloride
• SMILES: CC.CC.CC.CC.CC.CC.CC(C)(C)OC(=O)N[C@H]1CCc2c(C(=O)O)cccc21.CI.CN.CNC(=O)c1cccc2c1CC[C@@H]2N.CNC(=O)c1cccc2c1CC[C@@H]2NC.CNC(=O)c1cccc2c1CC[C@@H]2NC(=O)OC(C)(C)C.COC(=O)c1cccc2c1CC[C@@H]2NC(=O)OC(C)(C)C.COC(=O)c1cccc2c1CC[C@@H]2NCl.Cl.IC(I)I.ICI.I[V](I)I.I[V]I.[CH2-]I.[Li+].[OH-].[OH-].[V]
• InChI: InChI=1S/C16H22N2O3.C16H21NO4.C15H19NO4.C12H16N2O.C11H12ClNO2.C11H14N2O.6C2H6.CHI3.CH2I2.CH3I.CH2I.CH5N.ClH.5HI.Li.2H2O.3V/c1-16(2,3)21-15(20)18-13-9-8-10-11(13)6-5-7-12(10)14(19)17-4;1-16(2,3)21-15(19)17-13-9-8-10-11(13)6-5-7-12(10)14(18)20-4;1-15(2,3)20-14(19)16-12-8-7-9-10(12)5-4-6-11(9)13(17)18;1-13-11-7-6-8-9(11)4-3-5-10(8)12(15)14-2;1-15-11(14)9-4-2-3-8-7(9)5-6-10(8)13-12;1-13-11(14)9-4-2-3-8-7(9)5-6-10(8)12;6*1-2;2-1(3)4;2-1-3;3*1-2;;;;;;;;;;;;/h5-7,13H,8-9H2,1-4H3,(H,17,19)(H,18,20);5-7,13H,8-9H2,1-4H3,(H,17,19);4-6,12H,7-8H2,1-3H3,(H,16,19)(H,17,18);3-5,11,13H,6-7H2,1-2H3,(H,14,15);2-4,10,13H,5-6H2,1H3;2-4,10H,5-6,12H2,1H3,(H,13,14);6*1-2H3;1H;1H2;1H3;1H2;2H2,1H3;6*1H;;2*1H2;;;/q;;;;;;;;;;;;;;;-1;;;;;;;;+1;;;;+2;+3/p-7/t2*13-;12-;11-;2*10-;;;;;;;;;;;;;;;;;;;;;;;/m000000......................./s1
• InChIKey: HAGBXCNLQMWMPJ-KGLVHIQWSA-G
• XLogP: 26.77
• TPSA: 428.29 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 11
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3499.91
LogP ≤ 5	26.77
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;(1S)-1-amino-N-methyl-2,3-dihydro-1H-indene-4-carboxamide;tert-butyl N-[(1S)-4-(methylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]carbamate;diiodomethane;diiodovanadium;ethane;iodoform;iodomethane;iodomethane;methanamine;methyl (1S)-1-(chloroamino)-2,3-dihydro-1H-indene-4-carboxylate;(1S)-N-methyl-1-(methylamino)-2,3-dihydro-1H-indene-4-carboxamide;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylate;(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid;triiodovanadium;vanadium;dihydroxide;hydrochloride?

The IUPAC name of lithium;(1S)-1-amino-N-methyl-2,3-dihydro-1H-indene-4-carboxamide;tert-butyl N-[(1S)-4-(methylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]carbamate;diiodomethane;diiodovanadium;ethane;iodoform;iodomethane;iodomethane;methanamine;methyl (1S)-1-(chloroamino)-2,3-dihydro-1H-indene-4-carboxylate;(1S)-N-methyl-1-(methylamino)-2,3-dihydro-1H-indene-4-carboxamide;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylate;(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid;triiodovanadium;vanadium;dihydroxide;hydrochloride (CID 160540941) is lithium;(1S)-1-amino-N-methyl-2,3-dihydro-1H-indene-4-carboxamide;tert-butyl N-[(1S)-4-(methylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]carbamate;diiodomethane;diiodovanadium;ethane;iodoform;iodomethane;iodomethane;methanamine;methyl (1S)-1-(chloroamino)-2,3-dihydro-1H-indene-4-carboxylate;(1S)-N-methyl-1-(methylamino)-2,3-dihydro-1H-indene-4-carboxamide;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylate;(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid;triiodovanadium;vanadium;dihydroxide;hydrochloride.

What is the SMILES notation for lithium;(1S)-1-amino-N-methyl-2,3-dihydro-1H-indene-4-carboxamide;tert-butyl N-[(1S)-4-(methylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]carbamate;diiodomethane;diiodovanadium;ethane;iodoform;iodomethane;iodomethane;methanamine;methyl (1S)-1-(chloroamino)-2,3-dihydro-1H-indene-4-carboxylate;(1S)-N-methyl-1-(methylamino)-2,3-dihydro-1H-indene-4-carboxamide;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylate;(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid;triiodovanadium;vanadium;dihydroxide;hydrochloride?

The canonical SMILES for lithium;(1S)-1-amino-N-methyl-2,3-dihydro-1H-indene-4-carboxamide;tert-butyl N-[(1S)-4-(methylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]carbamate;diiodomethane;diiodovanadium;ethane;iodoform;iodomethane;iodomethane;methanamine;methyl (1S)-1-(chloroamino)-2,3-dihydro-1H-indene-4-carboxylate;(1S)-N-methyl-1-(methylamino)-2,3-dihydro-1H-indene-4-carboxamide;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylate;(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid;triiodovanadium;vanadium;dihydroxide;hydrochloride is CC.CC.CC.CC.CC.CC.CC(C)(C)OC(=O)N[C@H]1CCc2c(C(=O)O)cccc21.CI.CN.CNC(=O)c1cccc2c1CC[C@@H]2N.CNC(=O)c1cccc2c1CC[C@@H]2NC.CNC(=O)c1cccc2c1CC[C@@H]2NC(=O)OC(C)(C)C.COC(=O)c1cccc2c1CC[C@@H]2NC(=O)OC(C)(C)C.COC(=O)c1cccc2c1CC[C@@H]2NCl.Cl.IC(I)I.ICI.I[V](I)I.I[V]I.[CH2-]I.[Li+].[OH-].[OH-].[V].

What is the InChIKey of lithium;(1S)-1-amino-N-methyl-2,3-dihydro-1H-indene-4-carboxamide;tert-butyl N-[(1S)-4-(methylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]carbamate;diiodomethane;diiodovanadium;ethane;iodoform;iodomethane;iodomethane;methanamine;methyl (1S)-1-(chloroamino)-2,3-dihydro-1H-indene-4-carboxylate;(1S)-N-methyl-1-(methylamino)-2,3-dihydro-1H-indene-4-carboxamide;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylate;(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid;triiodovanadium;vanadium;dihydroxide;hydrochloride?

The InChIKey is HAGBXCNLQMWMPJ-KGLVHIQWSA-G. The full InChI is InChI=1S/C16H22N2O3.C16H21NO4.C15H19NO4.C12H16N2O.C11H12ClNO2.C11H14N2O.6C2H6.CHI3.CH2I2.CH3I.CH2I.CH5N.ClH.5HI.Li.2H2O.3V/c1-16(2,3)21-15(20)18-13-9-8-10-11(13)6-5-7-12(10)14(19)17-4;1-16(2,3)21-15(19)17-13-9-8-10-11(13)6-5-7-12(10)14(18)20-4;1-15(2,3)20-14(19)16-12-8-7-9-10(12)5-4-6-11(9)13(17)18;1-13-11-7-6-8-9(11)4-3-5-10(8)12(15)14-2;1-15-11(14)9-4-2-3-8-7(9)5-6-10(8)13-12;1-13-11(14)9-4-2-3-8-7(9)5-6-10(8)12;6*1-2;2-1(3)4;2-1-3;3*1-2;;;;;;;;;;;;/h5-7,13H,8-9H2,1-4H3,(H,17,19)(H,18,20);5-7,13H,8-9H2,1-4H3,(H,17,19);4-6,12H,7-8H2,1-3H3,(H,16,19)(H,17,18);3-5,11,13H,6-7H2,1-2H3,(H,14,15);2-4,10,13H,5-6H2,1H3;2-4,10H,5-6,12H2,1H3,(H,13,14);6*1-2H3;1H;1H2;1H3;1H2;2H2,1H3;6*1H;;2*1H2;;;/q;;;;;;;;;;;;;;;-1;;;;;;;;+1;;;;+2;+3/p-7/t2*13-;12-;11-;2*10-;;;;;;;;;;;;;;;;;;;;;;;/m000000......................./s1.

What are the key properties of lithium;(1S)-1-amino-N-methyl-2,3-dihydro-1H-indene-4-carboxamide;tert-butyl N-[(1S)-4-(methylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]carbamate;diiodomethane;diiodovanadium;ethane;iodoform;iodomethane;iodomethane;methanamine;methyl (1S)-1-(chloroamino)-2,3-dihydro-1H-indene-4-carboxylate;(1S)-N-methyl-1-(methylamino)-2,3-dihydro-1H-indene-4-carboxamide;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylate;(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid;triiodovanadium;vanadium;dihydroxide;hydrochloride?

lithium;(1S)-1-amino-N-methyl-2,3-dihydro-1H-indene-4-carboxamide;tert-butyl N-[(1S)-4-(methylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]carbamate;diiodomethane;diiodovanadium;ethane;iodoform;iodomethane;iodomethane;methanamine;methyl (1S)-1-(chloroamino)-2,3-dihydro-1H-indene-4-carboxylate;(1S)-N-methyl-1-(methylamino)-2,3-dihydro-1H-indene-4-carboxamide;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylate;(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid;triiodovanadium;vanadium;dihydroxide;hydrochloride has a molecular weight of 3499.91 g/mol, XLogP of 26.77, 11 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;(1S)-1-amino-N-methyl-2,3-dihydro-1H-indene-4-carboxamide;tert-butyl N-[(1S)-4-(methylcarbamoyl)-2,3-dihydro-1H-inden-1-yl]carbamate;diiodomethane;diiodovanadium;ethane;iodoform;iodomethane;iodomethane;methanamine;methyl (1S)-1-(chloroamino)-2,3-dihydro-1H-indene-4-carboxylate;(1S)-N-methyl-1-(methylamino)-2,3-dihydro-1H-indene-4-carboxamide;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylate;(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-4-carboxylic acid;triiodovanadium;vanadium;dihydroxide;hydrochloride is sourced from PubChem (CID 160540941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).