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;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propyl]-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;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate

C128H168N4O42 — CID 160729909

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;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propyl]-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;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]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;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propyl]-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;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate (PubChem CID 160729909) has the molecular formula C128H168N4O42 and a molecular weight of 2434.74 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;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propyl]-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;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: 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;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propyl]-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;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate
• PubChem CID: 160729909
• Molecular Formula: C128H168N4O42
• Molecular Weight: 2434.74 g/mol
• Exact Mass: 2433.11
• IUPAC Name: 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;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propyl]-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;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OC.C=C(C)C(=O)OC.C=C(C)C(=O)OC.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)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1CC2CCC1O2.C=C(C)C(=O)OCCCC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCOC1C2CC3C(=O)OC1C3O2.N#CC1CC2CCC1C2.[C-]#[N+]C1C2CCC(C2)C1C#N.[C-]#[N+]CC1CC2CCC1C2
• InChI: InChI=1S/C17H20O8.C17H22O6.C15H18O6.C13H16O6.C13H18O5.C12H16O5.C9H10N2.C9H13N.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;1-8(2)15(18)22-6-4-5-9-10-7-11-13(12(10)16(19)21-3)17(20)23-14(9)11;1-6(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)12(14)17-4-3-16-10-8-5-7-9(18-8)11(10)19-13(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;1-11-9-7-3-2-6(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/h8-9,11-14H,1,4-6H2,2-3H3;9-14H,1,4-7H2,2-3H3;7-12H,1,4-5H2,2-3H3;7-11H,1,3-5H2,2H3;9-11H,1,3-7H2,2H3;8-10H,1,3-6H2,2H3;6-9H,2-4H2;7-9H,2-6H2;6-8H,1-4H2;3*1H2,2-3H3
• InChIKey: RUEUFZONLYCGJL-UHFFFAOYSA-N
• XLogP: 13.44
• TPSA: 592.92 Ų
• H-Bond Acceptors: 44
• Rotatable Bonds: 34
• Heavy Atoms: 174
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2434.74
LogP ≤ 5	13.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	44

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'}

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;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propyl]-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;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]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;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propyl]-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;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate (CID 160729909) 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;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propyl]-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;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]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;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propyl]-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;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]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;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propyl]-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;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]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)OCC(=O)OC1CC2CCC1O2.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1CC2CCC1O2.C=C(C)C(=O)OCCCC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCOC1C2CC3C(=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;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propyl]-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;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate?

The InChIKey is RUEUFZONLYCGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O8.C17H22O6.C15H18O6.C13H16O6.C13H18O5.C12H16O5.C9H10N2.C9H13N.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;1-8(2)15(18)22-6-4-5-9-10-7-11-13(12(10)16(19)21-3)17(20)23-14(9)11;1-6(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)12(14)17-4-3-16-10-8-5-7-9(18-8)11(10)19-13(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;1-11-9-7-3-2-6(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/h8-9,11-14H,1,4-6H2,2-3H3;9-14H,1,4-7H2,2-3H3;7-12H,1,4-5H2,2-3H3;7-11H,1,3-5H2,2H3;9-11H,1,3-7H2,2H3;8-10H,1,3-6H2,2H3;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;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propyl]-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;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]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;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propyl]-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;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate has a molecular weight of 2434.74 g/mol, XLogP of 13.44, 34 rotatable bonds, 0 hydrogen bond donors, and 44 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;methyl 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;methyl 2-[3-(2-methylprop-2-enoyloxy)propyl]-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;2-[(5-oxo-4,8-dioxatricyclo[4.2.1.03,7]nonan-2-yl)oxy]ethyl 2-methylprop-2-enoate is sourced from PubChem (CID 160729909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).