3,4-ditert-butyl-1-propylpyrrolidine-2,5-dione

C15H27NO2 — CID 59067686

IUPAC3,4-ditert-butyl-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)C(C(C)(C)C)C(C(C)(C)C)C1=O
InChIInChI=1S/C15H27NO2/c1-8-9-16-12(17)10(14(2,3)4)11(13(16)18)15(5,6)7/h10-11H,8-9H2,1-7H3
InChIKeyHIXJMBFMGQYYOO-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.09
Rot. Bonds2

About 3,4-ditert-butyl-1-propylpyrrolidine-2,5-dione

3,4-ditert-butyl-1-propylpyrrolidine-2,5-dione (PubChem CID 59067686) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 3,4-ditert-butyl-1-propylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-ditert-butyl-1-propylpyrrolidine-2,5-dione
PubChem CID59067686
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name3,4-ditert-butyl-1-propylpyrrolidine-2,5-dione
SMILESCCCN1C(=O)C(C(C)(C)C)C(C(C)(C)C)C1=O
InChIInChI=1S/C15H27NO2/c1-8-9-16-12(17)10(14(2,3)4)11(13(16)18)15(5,6)7/h10-11H,8-9H2,1-7H3
InChIKeyHIXJMBFMGQYYOO-UHFFFAOYSA-N
XLogP3.09
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
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-ditert-butyl-1-propylpyrrolidine-2,5-dione?
The IUPAC name of 3,4-ditert-butyl-1-propylpyrrolidine-2,5-dione (CID 59067686) is 3,4-ditert-butyl-1-propylpyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-ditert-butyl-1-propylpyrrolidine-2,5-dione?
The canonical SMILES for 3,4-ditert-butyl-1-propylpyrrolidine-2,5-dione is CCCN1C(=O)C(C(C)(C)C)C(C(C)(C)C)C1=O.
What is the InChIKey of 3,4-ditert-butyl-1-propylpyrrolidine-2,5-dione?
The InChIKey is HIXJMBFMGQYYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-8-9-16-12(17)10(14(2,3)4)11(13(16)18)15(5,6)7/h10-11H,8-9H2,1-7H3.
What are the key properties of 3,4-ditert-butyl-1-propylpyrrolidine-2,5-dione?
3,4-ditert-butyl-1-propylpyrrolidine-2,5-dione has a molecular weight of 253.39 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-ditert-butyl-1-propylpyrrolidine-2,5-dione is sourced from PubChem (CID 59067686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).