2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butoxymethyl]naphthalene;1-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,4-dimethylpyrrole-2,5-dione;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;hexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-4,9,11,13,15,17,19-heptaene;5-[4-(4-phenylphenyl)butyl]bicyclo[2.2.1]hept-2-ene

C134H149N3O10 — CID 158294392

About 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butoxymethyl]naphthalene;1-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,4-dimethylpyrrole-2,5-dione;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;hexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-4,9,11,13,15,17,19-heptaene;5-[4-(4-phenylphenyl)butyl]bicyclo[2.2.1]hept-2-ene

2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butoxymethyl]naphthalene;1-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,4-dimethylpyrrole-2,5-dione;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;hexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-4,9,11,13,15,17,19-heptaene;5-[4-(4-phenylphenyl)butyl]bicyclo[2.2.1]hept-2-ene (PubChem CID 158294392) has the molecular formula C134H149N3O10 and a molecular weight of 1961.68 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butoxymethyl]naphthalene;1-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,4-dimethylpyrrole-2,5-dione;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;hexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-4,9,11,13,15,17,19-heptaene;5-[4-(4-phenylphenyl)butyl]bicyclo[2.2.1]hept-2-ene.

Molecular Properties

• Compound Name: 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butoxymethyl]naphthalene;1-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,4-dimethylpyrrole-2,5-dione;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;hexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-4,9,11,13,15,17,19-heptaene;5-[4-(4-phenylphenyl)butyl]bicyclo[2.2.1]hept-2-ene
• PubChem CID: 158294392
• Molecular Formula: C134H149N3O10
• Molecular Weight: 1961.68 g/mol
• Exact Mass: 1960.12
• IUPAC Name: 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butoxymethyl]naphthalene;1-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,4-dimethylpyrrole-2,5-dione;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;hexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-4,9,11,13,15,17,19-heptaene;5-[4-(4-phenylphenyl)butyl]bicyclo[2.2.1]hept-2-ene
• SMILES: C1=CC2CC1C1C3c4ccccc4C(c4ccccc43)C21.C1=CC2CC1CC2CCCCOCc1ccc2ccccc2c1.C1=CC2CC1CC2CCCCc1ccc(-c2ccccc2)cc1.CC1=C(C)C(=O)N(CC2CC3C=CC2C3)C1=O.CC1=C(C)C(=O)N(CCC2CC3C=CC2C3)C1=O.CC1=C(C)C(=O)N(CCCC2CC3C=CC2C3)C1=O.O=C(OCC1c2ccccc2-c2ccccc21)OCC1CC2C=CC1C2
• InChI: InChI=1S/C23H22O3.C23H26.C22H26O.C21H18.C16H21NO2.C15H19NO2.C14H17NO2/c24-23(25-13-17-12-15-9-10-16(17)11-15)26-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22;1-2-7-20(8-3-1)21-13-10-18(11-14-21)6-4-5-9-22-16-19-12-15-23(22)17-19;1-2-6-20-15-18(9-10-19(20)5-1)16-23-12-4-3-7-21-13-17-8-11-22(21)14-17;1-2-6-15-14(5-1)20-16-7-3-4-8-17(16)21(15)19-13-10-9-12(11-13)18(19)20;1-10-11(2)16(19)17(15(10)18)7-3-4-13-8-12-5-6-14(13)9-12;1-9-10(2)15(18)16(14(9)17)6-5-13-8-11-3-4-12(13)7-11;1-8-9(2)14(17)15(13(8)16)7-12-6-10-3-4-11(12)5-10/h1-10,15-17,22H,11-14H2;1-3,7-8,10-15,19,22-23H,4-6,9,16-17H2;1-2,5-6,8-11,15,17,21-22H,3-4,7,12-14,16H2;1-10,12-13,18-21H,11H2;5-6,12-14H,3-4,7-9H2,1-2H3;3-4,11-13H,5-8H2,1-2H3;3-4,10-12H,5-7H2,1-2H3
• InChIKey: GLSPOMHPFKCXGM-UHFFFAOYSA-N
• XLogP: 28.78
• TPSA: 156.90 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1961.68
LogP ≤ 5	28.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butoxymethyl]naphthalene;1-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,4-dimethylpyrrole-2,5-dione;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;hexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-4,9,11,13,15,17,19-heptaene;5-[4-(4-phenylphenyl)butyl]bicyclo[2.2.1]hept-2-ene?

The IUPAC name of 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butoxymethyl]naphthalene;1-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,4-dimethylpyrrole-2,5-dione;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;hexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-4,9,11,13,15,17,19-heptaene;5-[4-(4-phenylphenyl)butyl]bicyclo[2.2.1]hept-2-ene (CID 158294392) is 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butoxymethyl]naphthalene;1-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,4-dimethylpyrrole-2,5-dione;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;hexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-4,9,11,13,15,17,19-heptaene;5-[4-(4-phenylphenyl)butyl]bicyclo[2.2.1]hept-2-ene.

What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butoxymethyl]naphthalene;1-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,4-dimethylpyrrole-2,5-dione;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;hexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-4,9,11,13,15,17,19-heptaene;5-[4-(4-phenylphenyl)butyl]bicyclo[2.2.1]hept-2-ene?

The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butoxymethyl]naphthalene;1-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,4-dimethylpyrrole-2,5-dione;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;hexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-4,9,11,13,15,17,19-heptaene;5-[4-(4-phenylphenyl)butyl]bicyclo[2.2.1]hept-2-ene is C1=CC2CC1C1C3c4ccccc4C(c4ccccc43)C21.C1=CC2CC1CC2CCCCOCc1ccc2ccccc2c1.C1=CC2CC1CC2CCCCc1ccc(-c2ccccc2)cc1.CC1=C(C)C(=O)N(CC2CC3C=CC2C3)C1=O.CC1=C(C)C(=O)N(CCC2CC3C=CC2C3)C1=O.CC1=C(C)C(=O)N(CCCC2CC3C=CC2C3)C1=O.O=C(OCC1c2ccccc2-c2ccccc21)OCC1CC2C=CC1C2.

What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butoxymethyl]naphthalene;1-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,4-dimethylpyrrole-2,5-dione;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;hexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-4,9,11,13,15,17,19-heptaene;5-[4-(4-phenylphenyl)butyl]bicyclo[2.2.1]hept-2-ene?

The InChIKey is GLSPOMHPFKCXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O3.C23H26.C22H26O.C21H18.C16H21NO2.C15H19NO2.C14H17NO2/c24-23(25-13-17-12-15-9-10-16(17)11-15)26-14-22-20-7-3-1-5-18(20)19-6-2-4-8-21(19)22;1-2-7-20(8-3-1)21-13-10-18(11-14-21)6-4-5-9-22-16-19-12-15-23(22)17-19;1-2-6-20-15-18(9-10-19(20)5-1)16-23-12-4-3-7-21-13-17-8-11-22(21)14-17;1-2-6-15-14(5-1)20-16-7-3-4-8-17(16)21(15)19-13-10-9-12(11-13)18(19)20;1-10-11(2)16(19)17(15(10)18)7-3-4-13-8-12-5-6-14(13)9-12;1-9-10(2)15(18)16(14(9)17)6-5-13-8-11-3-4-12(13)7-11;1-8-9(2)14(17)15(13(8)16)7-12-6-10-3-4-11(12)5-10/h1-10,15-17,22H,11-14H2;1-3,7-8,10-15,19,22-23H,4-6,9,16-17H2;1-2,5-6,8-11,15,17,21-22H,3-4,7,12-14,16H2;1-10,12-13,18-21H,11H2;5-6,12-14H,3-4,7-9H2,1-2H3;3-4,11-13H,5-8H2,1-2H3;3-4,10-12H,5-7H2,1-2H3.

What are the key properties of 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butoxymethyl]naphthalene;1-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,4-dimethylpyrrole-2,5-dione;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;hexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-4,9,11,13,15,17,19-heptaene;5-[4-(4-phenylphenyl)butyl]bicyclo[2.2.1]hept-2-ene?

2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butoxymethyl]naphthalene;1-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,4-dimethylpyrrole-2,5-dione;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;hexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-4,9,11,13,15,17,19-heptaene;5-[4-(4-phenylphenyl)butyl]bicyclo[2.2.1]hept-2-ene has a molecular weight of 1961.68 g/mol, XLogP of 28.78, 26 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(2-bicyclo[2.2.1]hept-5-enyl)butoxymethyl]naphthalene;1-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3,4-dimethylpyrrole-2,5-dione;1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3,4-dimethylpyrrole-2,5-dione;2-bicyclo[2.2.1]hept-5-enylmethyl 9H-fluoren-9-ylmethyl carbonate;1-[3-(2-bicyclo[2.2.1]hept-5-enyl)propyl]-3,4-dimethylpyrrole-2,5-dione;hexacyclo[6.6.6.13,6.02,7.09,14.015,20]henicosa-4,9,11,13,15,17,19-heptaene;5-[4-(4-phenylphenyl)butyl]bicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 158294392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).