3-tert-butyl-1-(2-methylpropanoyl)pyrrolidine-2,5-dione

C12H19NO3 — CID 23547689

IUPAC3-tert-butyl-1-(2-methylpropanoyl)pyrrolidine-2,5-dione
SMILESCC(C)C(=O)N1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C12H19NO3/c1-7(2)10(15)13-9(14)6-8(11(13)16)12(3,4)5/h7-8H,6H2,1-5H3
InChIKeyCGIRRVXPMIHFOS-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.59
Rot. Bonds1

About 3-tert-butyl-1-(2-methylpropanoyl)pyrrolidine-2,5-dione

3-tert-butyl-1-(2-methylpropanoyl)pyrrolidine-2,5-dione (PubChem CID 23547689) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-tert-butyl-1-(2-methylpropanoyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-tert-butyl-1-(2-methylpropanoyl)pyrrolidine-2,5-dione
PubChem CID23547689
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name3-tert-butyl-1-(2-methylpropanoyl)pyrrolidine-2,5-dione
SMILESCC(C)C(=O)N1C(=O)CC(C(C)(C)C)C1=O
InChIInChI=1S/C12H19NO3/c1-7(2)10(15)13-9(14)6-8(11(13)16)12(3,4)5/h7-8H,6H2,1-5H3
InChIKeyCGIRRVXPMIHFOS-UHFFFAOYSA-N
XLogP1.59
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.59
H-Bond Donors ≤ 50
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-tert-butyl-1-(2-methylpropanoyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-tert-butyl-1-(2-methylpropanoyl)pyrrolidine-2,5-dione (CID 23547689) is 3-tert-butyl-1-(2-methylpropanoyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-tert-butyl-1-(2-methylpropanoyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-tert-butyl-1-(2-methylpropanoyl)pyrrolidine-2,5-dione is CC(C)C(=O)N1C(=O)CC(C(C)(C)C)C1=O.
What is the InChIKey of 3-tert-butyl-1-(2-methylpropanoyl)pyrrolidine-2,5-dione?
The InChIKey is CGIRRVXPMIHFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-7(2)10(15)13-9(14)6-8(11(13)16)12(3,4)5/h7-8H,6H2,1-5H3.
What are the key properties of 3-tert-butyl-1-(2-methylpropanoyl)pyrrolidine-2,5-dione?
3-tert-butyl-1-(2-methylpropanoyl)pyrrolidine-2,5-dione has a molecular weight of 225.29 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-(2-methylpropanoyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 23547689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).