bicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate

C145H188N4O47 — CID 157134299

IUPACbicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 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)OC(C)C1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OC(C)CC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCC(=O)OC1CC2CCC1O2.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1CC2CCC1O2.C=C(C)C(=O)OCCC1C2CC3C(=O)CC1C3O2.C=C(C)C(=O)OCCOC1C2CC3C(=O)OC1C3O2.C=CC(=O)OC1C2CC3C(=O)OC1C3O2.N#CC1CC2CCC1C2.[C-]#[N+]C1C2CCC(C2)C1C#N.[C-]#[N+]CC1CC2CCC1C2
InChIInChI=1S/C15H18O6.C14H18O5.C14H18O4.C13H16O6.C13H16O5.C13H18O5.C12H16O5.C10H10O5.C9H10N2.C9H13N.C8H11N.3C5H8O2/c1-6(2)13(16)20-5-9-7-4-8-11(10(7)14(17)19-3)15(18)21-12(8)9;1-6(2)13(15)17-7(3)4-8-10-5-9-12(18-10)11(8)19-14(9)16;1-7(2)14(16)17-4-3-8-9-5-11(15)10-6-12(8)18-13(9)10;1-6(2)12(14)17-4-3-16-10-8-5-7-9(18-8)11(10)19-13(7)15;1-5(2)12(14)16-6(3)9-8-4-7-10(17-8)11(9)18-13(7)15;1-8(2)13(15)16-6-5-12(14)18-11-7-9-3-4-10(11)17-9;1-7(2)12(14)15-6-11(13)17-10-5-8-3-4-9(10)16-8;1-2-6(11)14-8-5-3-4-7(13-5)9(8)15-10(4)12;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;9-5-8-4-6-1-2-7(8)3-6;3*1-4(2)5(6)7-3/h7-12H,1,4-5H2,2-3H3;7-12H,1,4-5H2,2-3H3;8-10,12-13H,1,3-6H2,2H3;7-11H,1,3-5H2,2H3;6-11H,1,4H2,2-3H3;9-11H,1,3-7H2,2H3;8-10H,1,3-6H2,2H3;2,4-5,7-9H,1,3H2;6-9H,2-4H2;7-9H,2-6H2;6-8H,1-4H2;3*1H2,2-3H3
InChIKeyAJLCGQLERCFLRG-UHFFFAOYSA-N
MW2739.08 g/mol
LogP14.89
Rot. Bonds35

About bicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate

bicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate (PubChem CID 157134299) has the molecular formula C145H188N4O47 and a molecular weight of 2739.08 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namebicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate
PubChem CID157134299
Molecular FormulaC145H188N4O47
Molecular Weight2739.08 g/mol
Exact Mass2737.24
IUPAC Namebicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 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)OC(C)C1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OC(C)CC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCC(=O)OC1CC2CCC1O2.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1CC2CCC1O2.C=C(C)C(=O)OCCC1C2CC3C(=O)CC1C3O2.C=C(C)C(=O)OCCOC1C2CC3C(=O)OC1C3O2.C=CC(=O)OC1C2CC3C(=O)OC1C3O2.N#CC1CC2CCC1C2.[C-]#[N+]C1C2CCC(C2)C1C#N.[C-]#[N+]CC1CC2CCC1C2
InChIInChI=1S/C15H18O6.C14H18O5.C14H18O4.C13H16O6.C13H16O5.C13H18O5.C12H16O5.C10H10O5.C9H10N2.C9H13N.C8H11N.3C5H8O2/c1-6(2)13(16)20-5-9-7-4-8-11(10(7)14(17)19-3)15(18)21-12(8)9;1-6(2)13(15)17-7(3)4-8-10-5-9-12(18-10)11(8)19-14(9)16;1-7(2)14(16)17-4-3-8-9-5-11(15)10-6-12(8)18-13(9)10;1-6(2)12(14)17-4-3-16-10-8-5-7-9(18-8)11(10)19-13(7)15;1-5(2)12(14)16-6(3)9-8-4-7-10(17-8)11(9)18-13(7)15;1-8(2)13(15)16-6-5-12(14)18-11-7-9-3-4-10(11)17-9;1-7(2)12(14)15-6-11(13)17-10-5-8-3-4-9(10)16-8;1-2-6(11)14-8-5-3-4-7(13-5)9(8)15-10(4)12;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;9-5-8-4-6-1-2-7(8)3-6;3*1-4(2)5(6)7-3/h7-12H,1,4-5H2,2-3H3;7-12H,1,4-5H2,2-3H3;8-10,12-13H,1,3-6H2,2H3;7-11H,1,3-5H2,2H3;6-11H,1,4H2,2-3H3;9-11H,1,3-7H2,2H3;8-10H,1,3-6H2,2H3;2,4-5,7-9H,1,3H2;6-9H,2-4H2;7-9H,2-6H2;6-8H,1-4H2;3*1H2,2-3H3
InChIKeyAJLCGQLERCFLRG-UHFFFAOYSA-N
XLogP14.89
TPSA646.91 Ų
H-Bond Donors
H-Bond Acceptors49
Rotatable Bonds35
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002739.08
LogP ≤ 514.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze bicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate?
The IUPAC name of bicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate (CID 157134299) is bicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate.
What is the SMILES notation for bicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate?
The canonical SMILES for bicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 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)OC(C)C1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OC(C)CC1C2CC3C(=O)OC1C3O2.C=C(C)C(=O)OCC(=O)OC1CC2CCC1O2.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1CC2CCC1O2.C=C(C)C(=O)OCCC1C2CC3C(=O)CC1C3O2.C=C(C)C(=O)OCCOC1C2CC3C(=O)OC1C3O2.C=CC(=O)OC1C2CC3C(=O)OC1C3O2.N#CC1CC2CCC1C2.[C-]#[N+]C1C2CCC(C2)C1C#N.[C-]#[N+]CC1CC2CCC1C2.
What is the InChIKey of bicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate?
The InChIKey is AJLCGQLERCFLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O6.C14H18O5.C14H18O4.C13H16O6.C13H16O5.C13H18O5.C12H16O5.C10H10O5.C9H10N2.C9H13N.C8H11N.3C5H8O2/c1-6(2)13(16)20-5-9-7-4-8-11(10(7)14(17)19-3)15(18)21-12(8)9;1-6(2)13(15)17-7(3)4-8-10-5-9-12(18-10)11(8)19-14(9)16;1-7(2)14(16)17-4-3-8-9-5-11(15)10-6-12(8)18-13(9)10;1-6(2)12(14)17-4-3-16-10-8-5-7-9(18-8)11(10)19-13(7)15;1-5(2)12(14)16-6(3)9-8-4-7-10(17-8)11(9)18-13(7)15;1-8(2)13(15)16-6-5-12(14)18-11-7-9-3-4-10(11)17-9;1-7(2)12(14)15-6-11(13)17-10-5-8-3-4-9(10)16-8;1-2-6(11)14-8-5-3-4-7(13-5)9(8)15-10(4)12;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;9-5-8-4-6-1-2-7(8)3-6;3*1-4(2)5(6)7-3/h7-12H,1,4-5H2,2-3H3;7-12H,1,4-5H2,2-3H3;8-10,12-13H,1,3-6H2,2H3;7-11H,1,3-5H2,2H3;6-11H,1,4H2,2-3H3;9-11H,1,3-7H2,2H3;8-10H,1,3-6H2,2H3;2,4-5,7-9H,1,3H2;6-9H,2-4H2;7-9H,2-6H2;6-8H,1-4H2;3*1H2,2-3H3.
What are the key properties of bicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate?
bicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate has a molecular weight of 2739.08 g/mol, XLogP of 14.89, 35 rotatable bonds, 0 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[2.2.1]heptane-2-carbonitrile;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;tris(methyl 2-methylprop-2-enoate);methyl 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;[2-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-2-oxoethyl] 2-methylprop-2-enoate;[3-(7-oxabicyclo[2.2.1]heptan-2-yloxy)-3-oxopropyl] 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate;1-(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)propan-2-yl 2-methylprop-2-enoate;(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl) prop-2-enoate;2-(5-oxo-8-oxatricyclo[4.2.1.03,7]nonan-2-yl)ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 157134299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).