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

C34H59N3O6 — CID 160954555

IUPAC1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)
SMILESCC(C)CC1C(=O)N(C)C(=O)C1C(C)C.CC(C)CC1CC(=O)N(C(C)C)C1=O.CC(C)CC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C12H21NO2.2C11H19NO2/c1-7(2)6-9-10(8(3)4)12(15)13(5)11(9)14;2*1-7(2)5-9-6-10(13)12(8(3)4)11(9)14/h7-10H,6H2,1-5H3;2*7-9H,5-6H2,1-4H3
InChIKeySWFDGUGKLNZHEB-UHFFFAOYSA-N
MW605.86 g/mol
LogP5.55
Rot. Bonds9

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

1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) (PubChem CID 160954555) has the molecular formula C34H59N3O6 and a molecular weight of 605.86 g/mol. Its IUPAC name is 1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione).

Molecular Properties

Compound Name1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)
PubChem CID160954555
Molecular FormulaC34H59N3O6
Molecular Weight605.86 g/mol
Exact Mass605.44
IUPAC Name1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)
SMILESCC(C)CC1C(=O)N(C)C(=O)C1C(C)C.CC(C)CC1CC(=O)N(C(C)C)C1=O.CC(C)CC1CC(=O)N(C(C)C)C1=O
InChIInChI=1S/C12H21NO2.2C11H19NO2/c1-7(2)6-9-10(8(3)4)12(15)13(5)11(9)14;2*1-7(2)5-9-6-10(13)12(8(3)4)11(9)14/h7-10H,6H2,1-5H3;2*7-9H,5-6H2,1-4H3
InChIKeySWFDGUGKLNZHEB-UHFFFAOYSA-N
XLogP5.55
TPSA112.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500605.86
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)?
The IUPAC name of 1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) (CID 160954555) is 1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione).
What is the SMILES notation for 1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)?
The canonical SMILES for 1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) is CC(C)CC1C(=O)N(C)C(=O)C1C(C)C.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-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)?
The InChIKey is SWFDGUGKLNZHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2.2C11H19NO2/c1-7(2)6-9-10(8(3)4)12(15)13(5)11(9)14;2*1-7(2)5-9-6-10(13)12(8(3)4)11(9)14/h7-10H,6H2,1-5H3;2*7-9H,5-6H2,1-4H3.
What are the key properties of 1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione)?
1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) has a molecular weight of 605.86 g/mol, XLogP of 5.55, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylpropyl)-4-propan-2-ylpyrrolidine-2,5-dione;bis(3-(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione) is sourced from PubChem (CID 160954555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).