3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione

C11H20N2O2 — CID 83141889

IUPAC3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
SMILESCC(CNC1CC(=O)NC1=O)C(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-7(11(2,3)4)6-12-8-5-9(14)13-10(8)15/h7-8,12H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyXFOIBIKWTXGOLO-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.67
Rot. Bonds3

About 3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione

3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione (PubChem CID 83141889) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
PubChem CID83141889
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione
SMILESCC(CNC1CC(=O)NC1=O)C(C)(C)C
InChIInChI=1S/C11H20N2O2/c1-7(11(2,3)4)6-12-8-5-9(14)13-10(8)15/h7-8,12H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyXFOIBIKWTXGOLO-UHFFFAOYSA-N
XLogP0.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione?
The IUPAC name of 3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione (CID 83141889) is 3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione is CC(CNC1CC(=O)NC1=O)C(C)(C)C.
What is the InChIKey of 3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione?
The InChIKey is XFOIBIKWTXGOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-7(11(2,3)4)6-12-8-5-9(14)13-10(8)15/h7-8,12H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione?
3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione has a molecular weight of 212.29 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3,3-trimethylbutylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 83141889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).