tert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate

C167H202BrCl4N11O33S — CID 159224020

IUPACtert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate
SMILESCC(C)(C)OC(=O)NC1CCc2ccc(CBr)cc21.CC(C)(C)OC(=O)NC1CCc2ccc(CC#N)cc21.CC(C)(C)OC(=O)NC1CCc2ccc(CC(=O)O)cc21.CC(C)(C)OC(=O)NC1CCc2ccc(CO)cc21.CC(C)(C)OC(=O)NC1CCc2ccc(COS(C)(=O)=O)cc21.COC(=O)Cc1ccc2c(c1)C(N)CC2.COC(=O)Cc1ccc2c(c1)C(NC(=O)OC(C)(C)C)CC2.COC(=O)Cc1ccc2c(c1)C(NC(=O)c1ccccc1Cl)CC2.COC(=O)c1ccc2c(c1)C(NC(=O)OC(C)(C)C)CC2.O=C(Cl)c1ccccc1Cl.O=C(O)Cc1ccc2c(c1)C(NC(=O)c1ccccc1Cl)CC2
InChIInChI=1S/C19H18ClNO3.C18H16ClNO3.C17H23NO4.C16H20N2O2.C16H23NO5S.2C16H21NO4.C15H20BrNO2.C15H21NO3.C12H15NO2.C7H4Cl2O/c1-24-18(22)11-12-6-7-13-8-9-17(15(13)10-12)21-19(23)14-4-2-3-5-16(14)20;19-15-4-2-1-3-13(15)18(23)20-16-8-7-12-6-5-11(9-14(12)16)10-17(21)22;1-17(2,3)22-16(20)18-14-8-7-12-6-5-11(9-13(12)14)10-15(19)21-4;1-16(2,3)20-15(19)18-14-7-6-12-5-4-11(8-9-17)10-13(12)14;1-16(2,3)22-15(18)17-14-8-7-12-6-5-11(9-13(12)14)10-21-23(4,19)20;1-16(2,3)21-15(19)17-13-8-7-10-5-6-11(9-12(10)13)14(18)20-4;1-16(2,3)21-15(20)17-13-7-6-11-5-4-10(8-12(11)13)9-14(18)19;1-15(2,3)19-14(18)17-13-7-6-11-5-4-10(9-16)8-12(11)13;1-15(2,3)19-14(18)16-13-7-6-11-5-4-10(9-17)8-12(11)13;1-15-12(14)7-8-2-3-9-4-5-11(13)10(9)6-8;8-6-4-2-1-3-5(6)7(9)10/h2-7,10,17H,8-9,11H2,1H3,(H,21,23);1-6,9,16H,7-8,10H2,(H,20,23)(H,21,22);5-6,9,14H,7-8,10H2,1-4H3,(H,18,20);4-5,10,14H,6-8H2,1-3H3,(H,18,19);5-6,9,14H,7-8,10H2,1-4H3,(H,17,18);5-6,9,13H,7-8H2,1-4H3,(H,17,19);4-5,8,13H,6-7,9H2,1-3H3,(H,17,20)(H,18,19);4-5,8,13H,6-7,9H2,1-3H3,(H,17,18);4-5,8,13,17H,6-7,9H2,1-3H3,(H,16,18);2-3,6,11H,4-5,7,13H2,1H3;1-4H
InChIKeyKSBABVRSEBGLRU-UHFFFAOYSA-N
MW3145.28 g/mol
LogP32.37
Rot. Bonds29

About tert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate

tert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate (PubChem CID 159224020) has the molecular formula C167H202BrCl4N11O33S and a molecular weight of 3145.28 g/mol. Its IUPAC name is tert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate.

Molecular Properties

Compound Nametert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate
PubChem CID159224020
Molecular FormulaC167H202BrCl4N11O33S
Molecular Weight3145.28 g/mol
Exact Mass3140.21
IUPAC Nametert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate
SMILESCC(C)(C)OC(=O)NC1CCc2ccc(CBr)cc21.CC(C)(C)OC(=O)NC1CCc2ccc(CC#N)cc21.CC(C)(C)OC(=O)NC1CCc2ccc(CC(=O)O)cc21.CC(C)(C)OC(=O)NC1CCc2ccc(CO)cc21.CC(C)(C)OC(=O)NC1CCc2ccc(COS(C)(=O)=O)cc21.COC(=O)Cc1ccc2c(c1)C(N)CC2.COC(=O)Cc1ccc2c(c1)C(NC(=O)OC(C)(C)C)CC2.COC(=O)Cc1ccc2c(c1)C(NC(=O)c1ccccc1Cl)CC2.COC(=O)c1ccc2c(c1)C(NC(=O)OC(C)(C)C)CC2.O=C(Cl)c1ccccc1Cl.O=C(O)Cc1ccc2c(c1)C(NC(=O)c1ccccc1Cl)CC2
InChIInChI=1S/C19H18ClNO3.C18H16ClNO3.C17H23NO4.C16H20N2O2.C16H23NO5S.2C16H21NO4.C15H20BrNO2.C15H21NO3.C12H15NO2.C7H4Cl2O/c1-24-18(22)11-12-6-7-13-8-9-17(15(13)10-12)21-19(23)14-4-2-3-5-16(14)20;19-15-4-2-1-3-13(15)18(23)20-16-8-7-12-6-5-11(9-14(12)16)10-17(21)22;1-17(2,3)22-16(20)18-14-8-7-12-6-5-11(9-13(12)14)10-15(19)21-4;1-16(2,3)20-15(19)18-14-7-6-12-5-4-11(8-9-17)10-13(12)14;1-16(2,3)22-15(18)17-14-8-7-12-6-5-11(9-13(12)14)10-21-23(4,19)20;1-16(2,3)21-15(19)17-13-8-7-10-5-6-11(9-12(10)13)14(18)20-4;1-16(2,3)21-15(20)17-13-7-6-11-5-4-10(8-12(11)13)9-14(18)19;1-15(2,3)19-14(18)17-13-7-6-11-5-4-10(9-16)8-12(11)13;1-15(2,3)19-14(18)16-13-7-6-11-5-4-10(9-17)8-12(11)13;1-15-12(14)7-8-2-3-9-4-5-11(13)10(9)6-8;8-6-4-2-1-3-5(6)7(9)10/h2-7,10,17H,8-9,11H2,1H3,(H,21,23);1-6,9,16H,7-8,10H2,(H,20,23)(H,21,22);5-6,9,14H,7-8,10H2,1-4H3,(H,18,20);4-5,10,14H,6-8H2,1-3H3,(H,18,19);5-6,9,14H,7-8,10H2,1-4H3,(H,17,18);5-6,9,13H,7-8H2,1-4H3,(H,17,19);4-5,8,13H,6-7,9H2,1-3H3,(H,17,20)(H,18,19);4-5,8,13H,6-7,9H2,1-3H3,(H,17,18);4-5,8,13,17H,6-7,9H2,1-3H3,(H,16,18);2-3,6,11H,4-5,7,13H2,1H3;1-4H
InChIKeyKSBABVRSEBGLRU-UHFFFAOYSA-N
XLogP32.37
TPSA636.79 Ų
H-Bond Donors13
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003145.28
LogP ≤ 532.37
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze tert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate with MolForge

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Launch Full Analysis

Related Compounds

lithium;2-chlorobenzoyl chloride;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;hydroxide
CID 157144539
tert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate
CID 160093519
2-[(1S)-1-amino-2,3-dihydro-1H-inden-5-yl]acetonitrile;tert-butyl N-[(1S)-5-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[(1S)-5-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;methyl (1S)-1-amino-2,3-dihydro-1H-indene-5-carboxylate;methyl (1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate;dihydrochloride
CID 161496414
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
4-(2-carboxyethyl)benzoic acid;3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylic acid;2-chlorobenzoyl chloride;methyl 3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-indene-5-carboxylate;methyl (3E)-3-hydroxyimino-1,2-dihydroindene-5-carboxylate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 3-oxo-1,2-dihydroindene-5-carboxylate;3-oxo-1,2-dihydroindene-5-carboxylic acid
CID 172944026

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate?
The IUPAC name of tert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate (CID 159224020) is tert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate.
What is the SMILES notation for tert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate?
The canonical SMILES for tert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate is CC(C)(C)OC(=O)NC1CCc2ccc(CBr)cc21.CC(C)(C)OC(=O)NC1CCc2ccc(CC#N)cc21.CC(C)(C)OC(=O)NC1CCc2ccc(CC(=O)O)cc21.CC(C)(C)OC(=O)NC1CCc2ccc(CO)cc21.CC(C)(C)OC(=O)NC1CCc2ccc(COS(C)(=O)=O)cc21.COC(=O)Cc1ccc2c(c1)C(N)CC2.COC(=O)Cc1ccc2c(c1)C(NC(=O)OC(C)(C)C)CC2.COC(=O)Cc1ccc2c(c1)C(NC(=O)c1ccccc1Cl)CC2.COC(=O)c1ccc2c(c1)C(NC(=O)OC(C)(C)C)CC2.O=C(Cl)c1ccccc1Cl.O=C(O)Cc1ccc2c(c1)C(NC(=O)c1ccccc1Cl)CC2.
What is the InChIKey of tert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate?
The InChIKey is KSBABVRSEBGLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO3.C18H16ClNO3.C17H23NO4.C16H20N2O2.C16H23NO5S.2C16H21NO4.C15H20BrNO2.C15H21NO3.C12H15NO2.C7H4Cl2O/c1-24-18(22)11-12-6-7-13-8-9-17(15(13)10-12)21-19(23)14-4-2-3-5-16(14)20;19-15-4-2-1-3-13(15)18(23)20-16-8-7-12-6-5-11(9-14(12)16)10-17(21)22;1-17(2,3)22-16(20)18-14-8-7-12-6-5-11(9-13(12)14)10-15(19)21-4;1-16(2,3)20-15(19)18-14-7-6-12-5-4-11(8-9-17)10-13(12)14;1-16(2,3)22-15(18)17-14-8-7-12-6-5-11(9-13(12)14)10-21-23(4,19)20;1-16(2,3)21-15(19)17-13-8-7-10-5-6-11(9-12(10)13)14(18)20-4;1-16(2,3)21-15(20)17-13-7-6-11-5-4-10(8-12(11)13)9-14(18)19;1-15(2,3)19-14(18)17-13-7-6-11-5-4-10(9-16)8-12(11)13;1-15(2,3)19-14(18)16-13-7-6-11-5-4-10(9-17)8-12(11)13;1-15-12(14)7-8-2-3-9-4-5-11(13)10(9)6-8;8-6-4-2-1-3-5(6)7(9)10/h2-7,10,17H,8-9,11H2,1H3,(H,21,23);1-6,9,16H,7-8,10H2,(H,20,23)(H,21,22);5-6,9,14H,7-8,10H2,1-4H3,(H,18,20);4-5,10,14H,6-8H2,1-3H3,(H,18,19);5-6,9,14H,7-8,10H2,1-4H3,(H,17,18);5-6,9,13H,7-8H2,1-4H3,(H,17,19);4-5,8,13H,6-7,9H2,1-3H3,(H,17,20)(H,18,19);4-5,8,13H,6-7,9H2,1-3H3,(H,17,18);4-5,8,13,17H,6-7,9H2,1-3H3,(H,16,18);2-3,6,11H,4-5,7,13H2,1H3;1-4H.
What are the key properties of tert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate?
tert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate has a molecular weight of 3145.28 g/mol, XLogP of 32.37, 29 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(bromomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(cyanomethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;tert-butyl N-[6-(hydroxymethyl)-2,3-dihydro-1H-inden-1-yl]carbamate;2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetic acid;2-chlorobenzoyl chloride;methyl 2-(3-amino-2,3-dihydro-1H-inden-5-yl)acetate;methyl 2-[3-[(2-chlorobenzoyl)amino]-2,3-dihydro-1H-inden-5-yl]acetate;methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-indene-5-carboxylate;methyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetate;2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]acetic acid;[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydro-1H-inden-5-yl]methyl methanesulfonate is sourced from PubChem (CID 159224020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).