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

C15H27NO2 — CID 157356680

IUPAC3,4-bis(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)CC1C(=O)N(C(C)C)C(=O)C1CC(C)C
InChIInChI=1S/C15H27NO2/c1-9(2)7-12-13(8-10(3)4)15(18)16(11(5)6)14(12)17/h9-13H,7-8H2,1-6H3
InChIKeyUFNGCJFFDRIYKK-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.09
Rot. Bonds5

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

3,4-bis(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 157356680) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3,4-bis(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-bis(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione
PubChem CID157356680
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3,4-bis(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione
SMILESCC(C)CC1C(=O)N(C(C)C)C(=O)C1CC(C)C
InChIInChI=1S/C15H27NO2/c1-9(2)7-12-13(8-10(3)4)15(18)16(11(5)6)14(12)17/h9-13H,7-8H2,1-6H3
InChIKeyUFNGCJFFDRIYKK-UHFFFAOYSA-N
XLogP3.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3,4-bis(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione (CID 157356680) is 3,4-bis(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-bis(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3,4-bis(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione is CC(C)CC1C(=O)N(C(C)C)C(=O)C1CC(C)C.
What is the InChIKey of 3,4-bis(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is UFNGCJFFDRIYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-9(2)7-12-13(8-10(3)4)15(18)16(11(5)6)14(12)17/h9-13H,7-8H2,1-6H3.
What are the key properties of 3,4-bis(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione?
3,4-bis(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 253.39 g/mol, XLogP of 3.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2-methylpropyl)-1-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 157356680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).