lithium;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;(3Z)-penta-1,3-diene;hydroxide

C75H87Cl2LiN4O15 — CID 162109076

About lithium;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;(3Z)-penta-1,3-diene;hydroxide

lithium;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;(3Z)-penta-1,3-diene;hydroxide (PubChem CID 162109076) has the molecular formula C75H87Cl2LiN4O15 and a molecular weight of 1362.38 g/mol. Its IUPAC name is lithium;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;(3Z)-penta-1,3-diene;hydroxide.

Molecular Properties

• Compound Name: lithium;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;(3Z)-penta-1,3-diene;hydroxide
• PubChem CID: 162109076
• Molecular Formula: C75H87Cl2LiN4O15
• Molecular Weight: 1362.38 g/mol
• Exact Mass: 1360.57
• IUPAC Name: lithium;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;(3Z)-penta-1,3-diene;hydroxide
• SMILES: C=C/C=C\C.CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)O)cc21.COC(=O)c1ccc2c(c1)C(N(C)C(=O)OC(C)(C)C)CC2.COC(=O)c1ccc2c(c1)C(N(C)C(=O)c1ccccc1Cl)CC2.COC(=O)c1ccc2c(c1)C(NC(=O)OC(C)(C)C)CC2.[Li+].[OH-]
• InChI: InChI=1S/C19H18ClNO3.C18H16ClNO3.C17H23NO4.C16H21NO4.C5H8.Li.H2O/c1-21(18(22)14-5-3-4-6-16(14)20)17-10-9-12-7-8-13(11-15(12)17)19(23)24-2;1-20(17(21)13-4-2-3-5-15(13)19)16-9-8-11-6-7-12(18(22)23)10-14(11)16;1-17(2,3)22-16(20)18(4)14-9-8-11-6-7-12(10-13(11)14)15(19)21-5;1-16(2,3)21-15(19)17-13-8-7-10-5-6-11(9-12(10)13)14(18)20-4;1-3-5-4-2;;/h3-8,11,17H,9-10H2,1-2H3;2-7,10,16H,8-9H2,1H3,(H,22,23);6-7,10,14H,8-9H2,1-5H3;5-6,9,13H,7-8H2,1-4H3,(H,17,19);3-5H,1H2,2H3;;1H2/q;;;;;+1;/p-1/b;;;;5-4-
• InChIKey: ZFXDWVMZTJPYBT-AGCSZGNTSA-M
• XLogP: 12.57
• TPSA: 254.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1362.38
LogP ≤ 5	12.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;(3Z)-penta-1,3-diene;hydroxide?

The IUPAC name of lithium;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;(3Z)-penta-1,3-diene;hydroxide (CID 162109076) is lithium;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;(3Z)-penta-1,3-diene;hydroxide.

What is the SMILES notation for lithium;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;(3Z)-penta-1,3-diene;hydroxide?

The canonical SMILES for lithium;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;(3Z)-penta-1,3-diene;hydroxide is C=C/C=C\C.CN(C(=O)c1ccccc1Cl)C1CCc2ccc(C(=O)O)cc21.COC(=O)c1ccc2c(c1)C(N(C)C(=O)OC(C)(C)C)CC2.COC(=O)c1ccc2c(c1)C(N(C)C(=O)c1ccccc1Cl)CC2.COC(=O)c1ccc2c(c1)C(NC(=O)OC(C)(C)C)CC2.[Li+].[OH-].

What is the InChIKey of lithium;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;(3Z)-penta-1,3-diene;hydroxide?

The InChIKey is ZFXDWVMZTJPYBT-AGCSZGNTSA-M. The full InChI is InChI=1S/C19H18ClNO3.C18H16ClNO3.C17H23NO4.C16H21NO4.C5H8.Li.H2O/c1-21(18(22)14-5-3-4-6-16(14)20)17-10-9-12-7-8-13(11-15(12)17)19(23)24-2;1-20(17(21)13-4-2-3-5-15(13)19)16-9-8-11-6-7-12(18(22)23)10-14(11)16;1-17(2,3)22-16(20)18(4)14-9-8-11-6-7-12(10-13(11)14)15(19)21-5;1-16(2,3)21-15(19)17-13-8-7-10-5-6-11(9-12(10)13)14(18)20-4;1-3-5-4-2;;/h3-8,11,17H,9-10H2,1-2H3;2-7,10,16H,8-9H2,1H3,(H,22,23);6-7,10,14H,8-9H2,1-5H3;5-6,9,13H,7-8H2,1-4H3,(H,17,19);3-5H,1H2,2H3;;1H2/q;;;;;+1;/p-1/b;;;;5-4-;;.

What are the key properties of lithium;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;(3Z)-penta-1,3-diene;hydroxide?

lithium;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;(3Z)-penta-1,3-diene;hydroxide has a molecular weight of 1362.38 g/mol, XLogP of 12.57, 11 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylic acid;methyl 3-[(2-chlorobenzoyl)-methylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;(3Z)-penta-1,3-diene;hydroxide is sourced from PubChem (CID 162109076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).