bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;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

C124H164N4O36 — CID 158318756

About bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;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

bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;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 (PubChem CID 158318756) has the molecular formula C124H164N4O36 and a molecular weight of 2286.67 g/mol. Its IUPAC name is bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;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.

Molecular Properties

• Compound Name: bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;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
• PubChem CID: 158318756
• Molecular Formula: C124H164N4O36
• Molecular Weight: 2286.67 g/mol
• Exact Mass: 2285.11
• IUPAC Name: bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;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
• 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)OC1C2CC3C1OC(=O)C3C2C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3C2C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OCCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC1(CC)CCCC1.N#CC1CC2CCC1C2.[C-]#[N+]C1C2CCC(C2)C1C#N.[C-]#[N+]CC1CC2CCC1C2
• InChI: InChI=1S/C23H30O8.C22H28O8.C21H28O6.C17H20O8.C9H10N2.C9H13N.C8H11N.3C5H8O2/c1-4-23(8-5-6-9-23)31-22(27)17-14-11-13-16(17)21(26)30-19(13)18(14)29-15(24)7-10-28-20(25)12(2)3;1-4-22(7-5-6-8-22)30-21(26)16-13-9-12-15(16)20(25)29-18(12)17(13)28-14(23)10-27-19(24)11(2)3;1-4-21(7-5-6-8-21)27-20(24)15-12-9-13-16(15)19(23)26-17(13)14(12)10-25-18(22)11(2)3;1-7(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;1-11-9-7-3-2-6(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/h13-14,16-19H,2,4-11H2,1,3H3;12-13,15-18H,2,4-10H2,1,3H3;12-17H,2,4-10H2,1,3H3;8-9,11-14H,1,4-6H2,2-3H3;6-9H,2-4H2;7-9H,2-6H2;6-8H,1-4H2;3*1H2,2-3H3
• InChIKey: GOOVKKNKBIIJQP-UHFFFAOYSA-N
• XLogP: 16.09
• TPSA: 529.70 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 31
• Heavy Atoms: 164
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2286.67
LogP ≤ 5	16.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

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'}

Frequently Asked Questions

What is the IUPAC name of bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;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?

The IUPAC name of bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;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 (CID 158318756) is bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;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.

What is the SMILES notation for bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;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?

The canonical SMILES for bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;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 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)OC1C2CC3C1OC(=O)C3C2C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OCC1C2CC3C1OC(=O)C3C2C(=O)OC1(CC)CCCC1.C=C(C)C(=O)OCCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC.C=C(C)C(=O)OCCC(=O)OC1C2CC3C1OC(=O)C3C2C(=O)OC1(CC)CCCC1.N#CC1CC2CCC1C2.[C-]#[N+]C1C2CCC(C2)C1C#N.[C-]#[N+]CC1CC2CCC1C2.

What is the InChIKey of bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;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?

The InChIKey is GOOVKKNKBIIJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30O8.C22H28O8.C21H28O6.C17H20O8.C9H10N2.C9H13N.C8H11N.3C5H8O2/c1-4-23(8-5-6-9-23)31-22(27)17-14-11-13-16(17)21(26)30-19(13)18(14)29-15(24)7-10-28-20(25)12(2)3;1-4-22(7-5-6-8-22)30-21(26)16-13-9-12-15(16)20(25)29-18(12)17(13)28-14(23)10-27-19(24)11(2)3;1-4-21(7-5-6-8-21)27-20(24)15-12-9-13-16(15)19(23)26-17(13)14(12)10-25-18(22)11(2)3;1-7(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;1-11-9-7-3-2-6(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/h13-14,16-19H,2,4-11H2,1,3H3;12-13,15-18H,2,4-10H2,1,3H3;12-17H,2,4-10H2,1,3H3;8-9,11-14H,1,4-6H2,2-3H3;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;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;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?

bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;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 has a molecular weight of 2286.67 g/mol, XLogP of 16.09, 31 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for bicyclo[2.2.1]heptane-2-carbonitrile;(1-ethylcyclopentyl) 2-[2-(2-methylprop-2-enoyloxy)acetyl]oxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-(2-methylprop-2-enoyloxymethyl)-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;(1-ethylcyclopentyl) 2-[3-(2-methylprop-2-enoyloxy)propanoyloxy]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate;3-isocyanobicyclo[2.2.1]heptane-2-carbonitrile;2-(isocyanomethyl)bicyclo[2.2.1]heptane;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 is sourced from PubChem (CID 158318756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).