1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-4-[6-(4-prop-1-en-2-ylphenyl)-2-bicyclo[2.2.1]hept-2-enyl]pyrrole-2,5-dione

C29H31NO2 — CID 146533179

About 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-4-[6-(4-prop-1-en-2-ylphenyl)-2-bicyclo[2.2.1]hept-2-enyl]pyrrole-2,5-dione

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-4-[6-(4-prop-1-en-2-ylphenyl)-2-bicyclo[2.2.1]hept-2-enyl]pyrrole-2,5-dione (PubChem CID 146533179) has the molecular formula C29H31NO2 and a molecular weight of 425.57 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-4-[6-(4-prop-1-en-2-ylphenyl)-2-bicyclo[2.2.1]hept-2-enyl]pyrrole-2,5-dione.

Molecular Properties

• Compound Name: 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-4-[6-(4-prop-1-en-2-ylphenyl)-2-bicyclo[2.2.1]hept-2-enyl]pyrrole-2,5-dione
• PubChem CID: 146533179
• Molecular Formula: C29H31NO2
• Molecular Weight: 425.57 g/mol
• Exact Mass: 425.24
• IUPAC Name: 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-4-[6-(4-prop-1-en-2-ylphenyl)-2-bicyclo[2.2.1]hept-2-enyl]pyrrole-2,5-dione
• SMILES: C=C(C)c1ccc(C2CC3C=C(C4=C(C)C(=O)N(CC5CC6C=CC5C6)C4=O)C2C3)cc1
• InChI: InChI=1S/C29H31NO2/c1-16(2)20-6-8-21(9-7-20)24-12-19-13-25(24)26(14-19)27-17(3)28(31)30(29(27)32)15-23-11-18-4-5-22(23)10-18/h4-9,14,18-19,22-25H,1,10-13,15H2,2-3H3
• InChIKey: GGLGLVCAUJHEJN-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 37.38 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	425.57
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-4-[6-(4-prop-1-en-2-ylphenyl)-2-bicyclo[2.2.1]hept-2-enyl]pyrrole-2,5-dione?

The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-4-[6-(4-prop-1-en-2-ylphenyl)-2-bicyclo[2.2.1]hept-2-enyl]pyrrole-2,5-dione (CID 146533179) is 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-4-[6-(4-prop-1-en-2-ylphenyl)-2-bicyclo[2.2.1]hept-2-enyl]pyrrole-2,5-dione.

What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-4-[6-(4-prop-1-en-2-ylphenyl)-2-bicyclo[2.2.1]hept-2-enyl]pyrrole-2,5-dione?

The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-4-[6-(4-prop-1-en-2-ylphenyl)-2-bicyclo[2.2.1]hept-2-enyl]pyrrole-2,5-dione is C=C(C)c1ccc(C2CC3C=C(C4=C(C)C(=O)N(CC5CC6C=CC5C6)C4=O)C2C3)cc1.

What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-4-[6-(4-prop-1-en-2-ylphenyl)-2-bicyclo[2.2.1]hept-2-enyl]pyrrole-2,5-dione?

The InChIKey is GGLGLVCAUJHEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31NO2/c1-16(2)20-6-8-21(9-7-20)24-12-19-13-25(24)26(14-19)27-17(3)28(31)30(29(27)32)15-23-11-18-4-5-22(23)10-18/h4-9,14,18-19,22-25H,1,10-13,15H2,2-3H3.

What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-4-[6-(4-prop-1-en-2-ylphenyl)-2-bicyclo[2.2.1]hept-2-enyl]pyrrole-2,5-dione?

1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-4-[6-(4-prop-1-en-2-ylphenyl)-2-bicyclo[2.2.1]hept-2-enyl]pyrrole-2,5-dione has a molecular weight of 425.57 g/mol, XLogP of 5.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-bicyclo[2.2.1]hept-5-enylmethyl)-3-methyl-4-[6-(4-prop-1-en-2-ylphenyl)-2-bicyclo[2.2.1]hept-2-enyl]pyrrole-2,5-dione is sourced from PubChem (CID 146533179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).