bicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate

C165H228N4O56S5 — CID 159588132

IUPACbicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC1(C)CCC(=O)CC1.C=C(C)C(=O)OC1(C)CCC(=O)OC1.C=C(C)C(=O)OC1C2CC3C1CS(=O)(=O)C3C2.C=C(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.C=C(C)C(=O)OC1C2CC3OS(=O)(=O)C1C3C2.C=C(C)C(=O)OC1CC2CC1CC2OS(C)(=O)=O.C=C(C)C(=O)OC1CC2CC1CC2S(=O)(=O)OC.C=C(C)C(=O)OC1CCC(=O)CC1.C=C(C)C(=O)OC1CCC(=O)OC1.C=C(C)C(=O)OCC1OCC(C)O1.C=C(C)C(=O)OCCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.N#CC1CC2CCC1C2.[C-]#[N+]C1C2CCC(C2)C1C#N.[C-]#[N+]CC1CC2CCC1C2
InChIInChI=1S/C17H20O8.2C12H18O5S.C12H16O4S.2C11H14O5S.C11H16O3.C10H14O4.C10H14O3.C9H10N2.C9H13N.C9H14O4.C9H12O4.C8H11N.3C5H8O2/c1-7(2)15(19)23-5-4-10(18)24-13-8-6-9-12(11(8)16(20)22-3)17(21)25-14(9)13;1-7(2)12(13)16-10-5-9-4-8(10)6-11(9)17-18(3,14)15;1-7(2)12(13)17-10-5-9-4-8(10)6-11(9)18(14,15)16-3;1-6(2)12(13)16-11-7-3-8-9(11)5-17(14,15)10(8)4-7;1-5(2)11(12)15-9-6-3-7-8(4-6)17(13,14)16-10(7)9;1-5(2)11(12)15-9-6-3-7-8(4-6)16-17(13,14)10(7)9;1-8(2)10(13)14-11(3)6-4-9(12)5-7-11;1-7(2)9(12)14-10(3)5-4-8(11)13-6-10;1-7(2)10(12)13-9-5-3-8(11)4-6-9;1-11-9-7-3-2-6(4-7)8(9)5-10;1-10-6-9-5-7-2-3-8(9)4-7;1-6(2)9(10)12-5-8-11-4-7(3)13-8;1-6(2)9(11)13-7-3-4-8(10)12-5-7;9-5-8-4-6-1-2-7(8)3-6;3*1-4(2)5(6)7-3/h8-9,11-14H,1,4-6H2,2-3H3;2*8-11H,1,4-6H2,2-3H3;7-11H,1,3-5H2,2H3;2*6-10H,1,3-4H2,2H3;1,4-7H2,2-3H3;1,4-6H2,2-3H3;9H,1,3-6H2,2H3;6-9H,2-4H2;7-9H,2-6H2;7-8H,1,4-5H2,2-3H3;7H,1,3-5H2,2H3;6-8H,1-4H2;3*1H2,2-3H3
InChIKeyMJWSPEZJXZFAFF-UHFFFAOYSA-N
MW3323.95 g/mol
LogP19.88
Rot. Bonds35

About bicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate

bicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate (PubChem CID 159588132) has the molecular formula C165H228N4O56S5 and a molecular weight of 3323.95 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate
PubChem CID159588132
Molecular FormulaC165H228N4O56S5
Molecular Weight3323.95 g/mol
Exact Mass3321.37
IUPAC Namebicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC1(C)CCC(=O)CC1.C=C(C)C(=O)OC1(C)CCC(=O)OC1.C=C(C)C(=O)OC1C2CC3C1CS(=O)(=O)C3C2.C=C(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.C=C(C)C(=O)OC1C2CC3OS(=O)(=O)C1C3C2.C=C(C)C(=O)OC1CC2CC1CC2OS(C)(=O)=O.C=C(C)C(=O)OC1CC2CC1CC2S(=O)(=O)OC.C=C(C)C(=O)OC1CCC(=O)CC1.C=C(C)C(=O)OC1CCC(=O)OC1.C=C(C)C(=O)OCC1OCC(C)O1.C=C(C)C(=O)OCCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.N#CC1CC2CCC1C2.[C-]#[N+]C1C2CCC(C2)C1C#N.[C-]#[N+]CC1CC2CCC1C2
InChIInChI=1S/C17H20O8.2C12H18O5S.C12H16O4S.2C11H14O5S.C11H16O3.C10H14O4.C10H14O3.C9H10N2.C9H13N.C9H14O4.C9H12O4.C8H11N.3C5H8O2/c1-7(2)15(19)23-5-4-10(18)24-13-8-6-9-12(11(8)16(20)22-3)17(21)25-14(9)13;1-7(2)12(13)16-10-5-9-4-8(10)6-11(9)17-18(3,14)15;1-7(2)12(13)17-10-5-9-4-8(10)6-11(9)18(14,15)16-3;1-6(2)12(13)16-11-7-3-8-9(11)5-17(14,15)10(8)4-7;1-5(2)11(12)15-9-6-3-7-8(4-6)17(13,14)16-10(7)9;1-5(2)11(12)15-9-6-3-7-8(4-6)16-17(13,14)10(7)9;1-8(2)10(13)14-11(3)6-4-9(12)5-7-11;1-7(2)9(12)14-10(3)5-4-8(11)13-6-10;1-7(2)10(12)13-9-5-3-8(11)4-6-9;1-11-9-7-3-2-6(4-7)8(9)5-10;1-10-6-9-5-7-2-3-8(9)4-7;1-6(2)9(10)12-5-8-11-4-7(3)13-8;1-6(2)9(11)13-7-3-4-8(10)12-5-7;9-5-8-4-6-1-2-7(8)3-6;3*1-4(2)5(6)7-3/h8-9,11-14H,1,4-6H2,2-3H3;2*8-11H,1,4-6H2,2-3H3;7-11H,1,3-5H2,2H3;2*6-10H,1,3-4H2,2H3;1,4-7H2,2-3H3;1,4-6H2,2-3H3;9H,1,3-6H2,2H3;6-9H,2-4H2;7-9H,2-6H2;7-8H,1,4-5H2,2-3H3;7H,1,3-5H2,2H3;6-8H,1-4H2;3*1H2,2-3H3
InChIKeyMJWSPEZJXZFAFF-UHFFFAOYSA-N
XLogP19.88
TPSA816.22 Ų
H-Bond Donors
H-Bond Acceptors58
Rotatable Bonds35
Heavy Atoms230
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003323.95
LogP ≤ 519.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1058

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze bicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate?
The IUPAC name of bicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate (CID 159588132) is bicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for bicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for bicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC1(C)CCC(=O)CC1.C=C(C)C(=O)OC1(C)CCC(=O)OC1.C=C(C)C(=O)OC1C2CC3C1CS(=O)(=O)C3C2.C=C(C)C(=O)OC1C2CC3C1OS(=O)(=O)C3C2.C=C(C)C(=O)OC1C2CC3OS(=O)(=O)C1C3C2.C=C(C)C(=O)OC1CC2CC1CC2OS(C)(=O)=O.C=C(C)C(=O)OC1CC2CC1CC2S(=O)(=O)OC.C=C(C)C(=O)OC1CCC(=O)CC1.C=C(C)C(=O)OC1CCC(=O)OC1.C=C(C)C(=O)OCC1OCC(C)O1.C=C(C)C(=O)OCCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.N#CC1CC2CCC1C2.[C-]#[N+]C1C2CCC(C2)C1C#N.[C-]#[N+]CC1CC2CCC1C2.
What is the InChIKey of bicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate?
The InChIKey is MJWSPEZJXZFAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O8.2C12H18O5S.C12H16O4S.2C11H14O5S.C11H16O3.C10H14O4.C10H14O3.C9H10N2.C9H13N.C9H14O4.C9H12O4.C8H11N.3C5H8O2/c1-7(2)15(19)23-5-4-10(18)24-13-8-6-9-12(11(8)16(20)22-3)17(21)25-14(9)13;1-7(2)12(13)16-10-5-9-4-8(10)6-11(9)17-18(3,14)15;1-7(2)12(13)17-10-5-9-4-8(10)6-11(9)18(14,15)16-3;1-6(2)12(13)16-11-7-3-8-9(11)5-17(14,15)10(8)4-7;1-5(2)11(12)15-9-6-3-7-8(4-6)17(13,14)16-10(7)9;1-5(2)11(12)15-9-6-3-7-8(4-6)16-17(13,14)10(7)9;1-8(2)10(13)14-11(3)6-4-9(12)5-7-11;1-7(2)9(12)14-10(3)5-4-8(11)13-6-10;1-7(2)10(12)13-9-5-3-8(11)4-6-9;1-11-9-7-3-2-6(4-7)8(9)5-10;1-10-6-9-5-7-2-3-8(9)4-7;1-6(2)9(10)12-5-8-11-4-7(3)13-8;1-6(2)9(11)13-7-3-4-8(10)12-5-7;9-5-8-4-6-1-2-7(8)3-6;3*1-4(2)5(6)7-3/h8-9,11-14H,1,4-6H2,2-3H3;2*8-11H,1,4-6H2,2-3H3;7-11H,1,3-5H2,2H3;2*6-10H,1,3-4H2,2H3;1,4-7H2,2-3H3;1,4-6H2,2-3H3;9H,1,3-6H2,2H3;6-9H,2-4H2;7-9H,2-6H2;7-8H,1,4-5H2,2-3H3;7H,1,3-5H2,2H3;6-8H,1-4H2;3*1H2,2-3H3.
What are the key properties of bicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate?
bicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate has a molecular weight of 3323.95 g/mol, XLogP of 19.88, 35 rotatable bonds, 0 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane-2-carbonitrile;(4,4-dioxo-4λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl) 2-methylprop-2-enoate;(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-9-yl) 2-methylprop-2-enoate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;(5-methoxysulfonyl-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-methyl-1,3-dioxolan-2-yl)methyl 2-methylprop-2-enoate;tris(methyl 2-methylprop-2-enoate);methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-methyl-4-oxocyclohexyl) 2-methylprop-2-enoate;(3-methyl-6-oxooxan-3-yl) 2-methylprop-2-enoate;(5-methylsulfonyloxy-2-bicyclo[2.2.1]heptanyl) 2-methylprop-2-enoate;(4-oxocyclohexyl) 2-methylprop-2-enoate;(6-oxooxan-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 159588132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).