1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate

C146H191Br2Cl3N12O26 — CID 159398184

IUPAC1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate
SMILESBrC1(C2CC2)CC1.C1CC1=C1CC1.CC(C)(C)OC(=O)N1C=CC(=O)C1.CC(C)(C)OC(=O)n1ccc(OCCC2C3(CC3)C23CC3)n1.CCOC(=O)C1C2(CC2)C12CC2.CCOC(=O)C=[N+]=[N-].CCOC(=O)c1ccc(-n2ccc(OCCC3C4(CC4)C34CC4)n2)nc1Cl.CCOC(=O)c1ccc(Cl)nc1Cl.COC(=O)C1CC1.N#CC(=O)C1C2(CC2)C12CC2.O=C(Br)C1C2(CC2)C12CC2.O=C(O)C1C2(CC2)C12CC2.O=C(O)CC1C2(CC2)C12CC2.OC1(C2CC2)CC1.OCCC1C2(CC2)C12CC2.c1cc(OCCC2C3(CC3)C23CC3)[nH]n1
InChIInChI=1S/C20H22ClN3O3.C17H24N2O3.C12H16N2O.C10H14O2.C9H13NO3.C9H9NO.C9H12O2.C9H14O.C8H9BrO.C8H7Cl2NO2.C8H10O2.C6H9Br.C6H10O.C6H8.C5H8O2.C4H6N2O2/c1-2-26-18(25)13-3-4-15(22-17(13)21)24-11-5-16(23-24)27-12-6-14-19(7-8-19)20(14)9-10-20;1-15(2,3)22-14(20)19-10-4-13(18-19)21-11-5-12-16(6-7-16)17(12)8-9-17;1-7-13-14-10(1)15-8-2-9-11(3-4-11)12(9)5-6-12;1-2-12-8(11)7-9(3-4-9)10(7)5-6-10;1-9(2,3)13-8(12)10-5-4-7(11)6-10;10-5-6(11)7-8(1-2-8)9(7)3-4-9;10-7(11)5-6-8(1-2-8)9(6)3-4-9;10-6-1-7-8(2-3-8)9(7)4-5-9;9-6(10)5-7(1-2-7)8(5)3-4-8;1-2-13-8(12)5-3-4-6(9)11-7(5)10;9-6(10)5-7(1-2-7)8(5)3-4-8;2*7-6(3-4-6)5-1-2-5;1-2-5(1)6-3-4-6;1-7-5(6)4-2-3-4;1-2-8-4(7)3-6-5/h3-5,11,14H,2,6-10,12H2,1H3;4,10,12H,5-9,11H2,1-3H3;1,7,9H,2-6,8H2,(H,13,14);7H,2-6H2,1H3;4-5H,6H2,1-3H3;7H,1-4H2;6H,1-5H2,(H,10,11);7,10H,1-6H2;5H,1-4H2;3-4H,2H2,1H3;5H,1-4H2,(H,9,10);5H,1-4H2;5,7H,1-4H2;1-4H2;4H,2-3H2,1H3;3H,2H2,1H3
InChIKeyLMZQCXWTUXMIIP-UHFFFAOYSA-N
MW2796.36 g/mol
LogP29.05
Rot. Bonds31

About 1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate

1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate (PubChem CID 159398184) has the molecular formula C146H191Br2Cl3N12O26 and a molecular weight of 2796.36 g/mol. Its IUPAC name is 1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate.

Molecular Properties

Compound Name1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate
PubChem CID159398184
Molecular FormulaC146H191Br2Cl3N12O26
Molecular Weight2796.36 g/mol
Exact Mass2791.14
IUPAC Name1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate
SMILESBrC1(C2CC2)CC1.C1CC1=C1CC1.CC(C)(C)OC(=O)N1C=CC(=O)C1.CC(C)(C)OC(=O)n1ccc(OCCC2C3(CC3)C23CC3)n1.CCOC(=O)C1C2(CC2)C12CC2.CCOC(=O)C=[N+]=[N-].CCOC(=O)c1ccc(-n2ccc(OCCC3C4(CC4)C34CC4)n2)nc1Cl.CCOC(=O)c1ccc(Cl)nc1Cl.COC(=O)C1CC1.N#CC(=O)C1C2(CC2)C12CC2.O=C(Br)C1C2(CC2)C12CC2.O=C(O)C1C2(CC2)C12CC2.O=C(O)CC1C2(CC2)C12CC2.OC1(C2CC2)CC1.OCCC1C2(CC2)C12CC2.c1cc(OCCC2C3(CC3)C23CC3)[nH]n1
InChIInChI=1S/C20H22ClN3O3.C17H24N2O3.C12H16N2O.C10H14O2.C9H13NO3.C9H9NO.C9H12O2.C9H14O.C8H9BrO.C8H7Cl2NO2.C8H10O2.C6H9Br.C6H10O.C6H8.C5H8O2.C4H6N2O2/c1-2-26-18(25)13-3-4-15(22-17(13)21)24-11-5-16(23-24)27-12-6-14-19(7-8-19)20(14)9-10-20;1-15(2,3)22-14(20)19-10-4-13(18-19)21-11-5-12-16(6-7-16)17(12)8-9-17;1-7-13-14-10(1)15-8-2-9-11(3-4-11)12(9)5-6-12;1-2-12-8(11)7-9(3-4-9)10(7)5-6-10;1-9(2,3)13-8(12)10-5-4-7(11)6-10;10-5-6(11)7-8(1-2-8)9(7)3-4-9;10-7(11)5-6-8(1-2-8)9(6)3-4-9;10-6-1-7-8(2-3-8)9(7)4-5-9;9-6(10)5-7(1-2-7)8(5)3-4-8;1-2-13-8(12)5-3-4-6(9)11-7(5)10;9-6(10)5-7(1-2-7)8(5)3-4-8;2*7-6(3-4-6)5-1-2-5;1-2-5(1)6-3-4-6;1-7-5(6)4-2-3-4;1-2-8-4(7)3-6-5/h3-5,11,14H,2,6-10,12H2,1H3;4,10,12H,5-9,11H2,1-3H3;1,7,9H,2-6,8H2,(H,13,14);7H,2-6H2,1H3;4-5H,6H2,1-3H3;7H,1-4H2;6H,1-5H2,(H,10,11);7,10H,1-6H2;5H,1-4H2;3-4H,2H2,1H3;5H,1-4H2,(H,9,10);5H,1-4H2;5,7H,1-4H2;1-4H2;4H,2-3H2,1H3;3H,2H2,1H3
InChIKeyLMZQCXWTUXMIIP-UHFFFAOYSA-N
XLogP29.05
TPSA531.59 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002796.36
LogP ≤ 529.05
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyl_cyanide', 'substructure': 'N/A'}

Analyze 1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate with MolForge

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Related Compounds

ethyl 2-chloro-6-[3-[2-(2,2,3,3-tetramethylcyclopropyl)ethoxy]pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;5-[2-(2,2,3,3-tetramethylcyclopropyl)ethoxy]-1H-pyrazole
CID 161242773
tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylic acid;6-[3-[(1S)-3,3-dimethylcyclopentyl]propylamino]pyridine-2-sulfonamide;2,2-dimethylpropanoic acid;2,2-dimethylpropan-1-ol;5-(2,2-dimethylpropoxy)-1H-pyrazole
CID 158369848
5-(dispiro[2.0.24.13]heptan-7-ylmethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(dispiro[2.0.24.13]heptan-7-ylmethoxy)pyrazol-1-yl]pyridine-3-carboxylate
CID 159764695
tert-butyl 2-chloro-6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl 3-(2,2-dimethylpropoxy)pyrazole-1-carboxylate;tert-butyl 5-oxo-1H-pyrazole-2-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2,6-dichloropyridine-3-carboxylic acid;bis(5-(2,2-dimethylpropoxy)-1H-pyrazole);6-[3-(2,2-dimethylpropoxy)pyrazol-1-yl]-N-(1,3-dimethylpyrazol-4-yl)sulfonyl-2-[(4S)-2,2,4-trimethylpyrrolidin-1-yl]pyridine-3-carboxamide;hydrazine;methyl (E)-3-methoxyprop-2-enoate;sulfane;3,3,3-trifluoro-2,2-dimethylpropanoic acid;bis(3,3,3-trifluoro-2,2-dimethylpropan-1-ol);dihydrochloride
CID 167573085
tert-butyl 6-[3-[2-[tert-butyl(dimethyl)silyl]oxy-2-dispiro[2.0.24.13]heptan-7-ylethoxy]pyrazol-1-yl]-2-chloropyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;tert-butyl-[1-dispiro[2.0.24.13]heptan-7-yl-2-(1H-pyrazol-5-yloxy)ethoxy]-dimethylsilane;methane
CID 161165732
tert-butyl 2,2-dimethyl-4-[3-[(6-sulfamoyl-2-pyridinyl)amino]propyl]pyrrolidine-1-carboxylate;tert-butyl 3-(3-methyl-2-propan-2-ylbutoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylic acid;ethyl 2-chloro-6-[5-(3-methyl-2-propan-2-ylbutoxy)-2H-pyrrol-2-yl]pyridine-3-carboxylate;ethyl 2,6-dichloropyridine-3-carboxylate;3-methyl-2-propan-2-ylbutan-1-ol;5-(3-methyl-2-propan-2-ylbutoxy)-1H-pyrazole
CID 158899143
dipotassium;tert-butyl 2-chloro-6-[3-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]pyrazol-1-yl]pyridine-3-carboxylate;tert-butyl 2,6-dichloropyridine-3-carboxylate;5-[(3-fluoro-1-bicyclo[1.1.1]pentanyl)methoxy]-1H-pyrazole;hydride;oxido formate
CID 157154218
tert-butyl 3-[(1-ethylcyclopropyl)methoxy]pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;(1-ethylcyclopropyl)methanol
CID 159351166
tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;tert-butyl 3-[[1-(trifluoromethyl)cyclopropyl]methoxy]pyrazole-1-carboxylate;[1-(trifluoromethyl)cyclopropyl]methanol
CID 159724250
tert-butyl 3-[(1-methylcyclobutyl)methoxy]pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;(1-methylcyclobutyl)methanol
CID 160604510
1-O-tert-butyl 4-O-ethyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1,4-dicarboxylate;2-dispiro[2.0.24.13]heptan-7-ylethanol;2-dispiro[2.0.24.13]heptan-7-ylethyl methanesulfonate
CID 160916625
ethyl 2-chloro-6-[3-[2-[1-(trimethyl-λ4-sulfanyl)cyclopropyl]ethoxy]pyrazol-1-yl]pyridine-3-carboxylate
CID 139574171

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate?
The IUPAC name of 1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate (CID 159398184) is 1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate.
What is the SMILES notation for 1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate?
The canonical SMILES for 1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate is BrC1(C2CC2)CC1.C1CC1=C1CC1.CC(C)(C)OC(=O)N1C=CC(=O)C1.CC(C)(C)OC(=O)n1ccc(OCCC2C3(CC3)C23CC3)n1.CCOC(=O)C1C2(CC2)C12CC2.CCOC(=O)C=[N+]=[N-].CCOC(=O)c1ccc(-n2ccc(OCCC3C4(CC4)C34CC4)n2)nc1Cl.CCOC(=O)c1ccc(Cl)nc1Cl.COC(=O)C1CC1.N#CC(=O)C1C2(CC2)C12CC2.O=C(Br)C1C2(CC2)C12CC2.O=C(O)C1C2(CC2)C12CC2.O=C(O)CC1C2(CC2)C12CC2.OC1(C2CC2)CC1.OCCC1C2(CC2)C12CC2.c1cc(OCCC2C3(CC3)C23CC3)[nH]n1.
What is the InChIKey of 1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate?
The InChIKey is LMZQCXWTUXMIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O3.C17H24N2O3.C12H16N2O.C10H14O2.C9H13NO3.C9H9NO.C9H12O2.C9H14O.C8H9BrO.C8H7Cl2NO2.C8H10O2.C6H9Br.C6H10O.C6H8.C5H8O2.C4H6N2O2/c1-2-26-18(25)13-3-4-15(22-17(13)21)24-11-5-16(23-24)27-12-6-14-19(7-8-19)20(14)9-10-20;1-15(2,3)22-14(20)19-10-4-13(18-19)21-11-5-12-16(6-7-16)17(12)8-9-17;1-7-13-14-10(1)15-8-2-9-11(3-4-11)12(9)5-6-12;1-2-12-8(11)7-9(3-4-9)10(7)5-6-10;1-9(2,3)13-8(12)10-5-4-7(11)6-10;10-5-6(11)7-8(1-2-8)9(7)3-4-9;10-7(11)5-6-8(1-2-8)9(6)3-4-9;10-6-1-7-8(2-3-8)9(7)4-5-9;9-6(10)5-7(1-2-7)8(5)3-4-8;1-2-13-8(12)5-3-4-6(9)11-7(5)10;9-6(10)5-7(1-2-7)8(5)3-4-8;2*7-6(3-4-6)5-1-2-5;1-2-5(1)6-3-4-6;1-7-5(6)4-2-3-4;1-2-8-4(7)3-6-5/h3-5,11,14H,2,6-10,12H2,1H3;4,10,12H,5-9,11H2,1-3H3;1,7,9H,2-6,8H2,(H,13,14);7H,2-6H2,1H3;4-5H,6H2,1-3H3;7H,1-4H2;6H,1-5H2,(H,10,11);7,10H,1-6H2;5H,1-4H2;3-4H,2H2,1H3;5H,1-4H2,(H,9,10);5H,1-4H2;5,7H,1-4H2;1-4H2;4H,2-3H2,1H3;3H,2H2,1H3.
What are the key properties of 1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate?
1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate has a molecular weight of 2796.36 g/mol, XLogP of 29.05, 31 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-cyclopropylcyclopropane;tert-butyl 3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazole-1-carboxylate;tert-butyl 3-oxo-2H-pyrrole-1-carboxylate;1-cyclopropylcyclopropan-1-ol;cyclopropylidenecyclopropane;dispiro[2.0.24.13]heptane-7-carbonyl bromide;dispiro[2.0.24.13]heptane-7-carbonyl cyanide;dispiro[2.0.24.13]heptane-7-carboxylic acid;2-dispiro[2.0.24.13]heptan-7-ylacetic acid;2-dispiro[2.0.24.13]heptan-7-ylethanol;5-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)-1H-pyrazole;ethyl 2-chloro-6-[3-(2-dispiro[2.0.24.13]heptan-7-ylethoxy)pyrazol-1-yl]pyridine-3-carboxylate;ethyl 2-diazoacetate;ethyl 2,6-dichloropyridine-3-carboxylate;ethyl dispiro[2.0.24.13]heptane-7-carboxylate;methyl cyclopropanecarboxylate is sourced from PubChem (CID 159398184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).