1-[6-[3-(2-methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione

C24H42N2O2 — CID 134403479

About 1-[6-[3-(2-methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione

1-[6-[3-(2-methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 134403479) has the molecular formula C24H42N2O2 and a molecular weight of 390.61 g/mol. Its IUPAC name is 1-[6-[3-(2-methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[6-[3-(2-methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione
• PubChem CID: 134403479
• Molecular Formula: C24H42N2O2
• Molecular Weight: 390.61 g/mol
• Exact Mass: 390.32
• IUPAC Name: 1-[6-[3-(2-methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione
• SMILES: C=C(CCCCCN1C(=O)CC(C(C)C)C1=O)N1CCC(C(C)(C)CCC)C1
• InChI: InChI=1S/C24H42N2O2/c1-7-13-24(5,6)20-12-15-25(17-20)19(4)11-9-8-10-14-26-22(27)16-21(18(2)3)23(26)28/h18,20-21H,4,7-17H2,1-3,5-6H3
• InChIKey: USHRIDASWJSQBK-UHFFFAOYSA-N
• XLogP: 5.24
• TPSA: 40.62 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 11
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	390.61
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[6-[3-(2-methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione?

The IUPAC name of 1-[6-[3-(2-methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione (CID 134403479) is 1-[6-[3-(2-methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione.

What is the SMILES notation for 1-[6-[3-(2-methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione?

The canonical SMILES for 1-[6-[3-(2-methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione is C=C(CCCCCN1C(=O)CC(C(C)C)C1=O)N1CCC(C(C)(C)CCC)C1.

What is the InChIKey of 1-[6-[3-(2-methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione?

The InChIKey is USHRIDASWJSQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N2O2/c1-7-13-24(5,6)20-12-15-25(17-20)19(4)11-9-8-10-14-26-22(27)16-21(18(2)3)23(26)28/h18,20-21H,4,7-17H2,1-3,5-6H3.

What are the key properties of 1-[6-[3-(2-methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione?

1-[6-[3-(2-methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 390.61 g/mol, XLogP of 5.24, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[3-(2-methylpentan-2-yl)pyrrolidin-1-yl]hept-6-enyl]-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 134403479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).