1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)

C35H61N3O5 — CID 158062483

About 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)

1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) (PubChem CID 158062483) has the molecular formula C35H61N3O5 and a molecular weight of 603.89 g/mol. Its IUPAC name is 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione).

Molecular Properties

• Compound Name: 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)
• PubChem CID: 158062483
• Molecular Formula: C35H61N3O5
• Molecular Weight: 603.89 g/mol
• Exact Mass: 603.46
• IUPAC Name: 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)
• SMILES: C=C1C(C(C)C)C(CC(C)C)C(=O)N1C.CC(C)CC1CC(=O)N(C(C)C)C1=O.CC(C)CC1CC(=O)N(C(C)C)C1=O
• InChI: InChI=1S/C13H23NO.2C11H19NO2/c1-8(2)7-11-12(9(3)4)10(5)14(6)13(11)15;2*1-7(2)5-9-6-10(13)12(8(3)4)11(9)14/h8-9,11-12H,5,7H2,1-4,6H3;2*7-9H,5-6H2,1-4H3
• InChIKey: FKUWKOYDAPVOIP-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 95.07 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.89
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)?

The IUPAC name of 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) (CID 158062483) is 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione).

What is the SMILES notation for 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)?

The canonical SMILES for 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) is C=C1C(C(C)C)C(CC(C)C)C(=O)N1C.CC(C)CC1CC(=O)N(C(C)C)C1=O.CC(C)CC1CC(=O)N(C(C)C)C1=O.

What is the InChIKey of 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)?

The InChIKey is FKUWKOYDAPVOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.2C11H19NO2/c1-8(2)7-11-12(9(3)4)10(5)14(6)13(11)15;2*1-7(2)5-9-6-10(13)12(8(3)4)11(9)14/h8-9,11-12H,5,7H2,1-4,6H3;2*7-9H,5-6H2,1-4H3.

What are the key properties of 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)?

1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) has a molecular weight of 603.89 g/mol, XLogP of 6.54, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-5-methylidene-3-(2-methylpropyl)-4-propan-2-ylpyrrolidin-2-one;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) is sourced from PubChem (CID 158062483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).