1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione

C11H19NO2 — CID 83143865

IUPAC1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione
SMILESCC(CN1CCC(=O)C1=O)C(C)(C)C
InChIInChI=1S/C11H19NO2/c1-8(11(2,3)4)7-12-6-5-9(13)10(12)14/h8H,5-7H2,1-4H3
InChIKeyBYSOLZODEGTPBG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds2

About 1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione

1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione (PubChem CID 83143865) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione
PubChem CID83143865
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione
SMILESCC(CN1CCC(=O)C1=O)C(C)(C)C
InChIInChI=1S/C11H19NO2/c1-8(11(2,3)4)7-12-6-5-9(13)10(12)14/h8H,5-7H2,1-4H3
InChIKeyBYSOLZODEGTPBG-UHFFFAOYSA-N
XLogP1.47
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione (CID 83143865) is 1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione is CC(CN1CCC(=O)C1=O)C(C)(C)C.
What is the InChIKey of 1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione?
The InChIKey is BYSOLZODEGTPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8(11(2,3)4)7-12-6-5-9(13)10(12)14/h8H,5-7H2,1-4H3.
What are the key properties of 1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione?
1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione has a molecular weight of 197.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,3-trimethylbutyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 83143865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).