2,2,5,5-tetramethylpyrrolidine-3,4-dione

C8H13NO2 — CID 69038766

IUPAC2,2,5,5-tetramethylpyrrolidine-3,4-dione
SMILESCC1(C)NC(C)(C)C(=O)C1=O
InChIInChI=1S/C8H13NO2/c1-7(2)5(10)6(11)8(3,4)9-7/h9H,1-4H3
InChIKeyCMQYYRORUFUZGE-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.28
Rot. Bonds

About 2,2,5,5-tetramethylpyrrolidine-3,4-dione

2,2,5,5-tetramethylpyrrolidine-3,4-dione (PubChem CID 69038766) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2,2,5,5-tetramethylpyrrolidine-3,4-dione.

Molecular Properties

Compound Name2,2,5,5-tetramethylpyrrolidine-3,4-dione
PubChem CID69038766
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2,2,5,5-tetramethylpyrrolidine-3,4-dione
SMILESCC1(C)NC(C)(C)C(=O)C1=O
InChIInChI=1S/C8H13NO2/c1-7(2)5(10)6(11)8(3,4)9-7/h9H,1-4H3
InChIKeyCMQYYRORUFUZGE-UHFFFAOYSA-N
XLogP0.28
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetramethylpyrrolidine-3,4-dione?
The IUPAC name of 2,2,5,5-tetramethylpyrrolidine-3,4-dione (CID 69038766) is 2,2,5,5-tetramethylpyrrolidine-3,4-dione.
What is the SMILES notation for 2,2,5,5-tetramethylpyrrolidine-3,4-dione?
The canonical SMILES for 2,2,5,5-tetramethylpyrrolidine-3,4-dione is CC1(C)NC(C)(C)C(=O)C1=O.
What is the InChIKey of 2,2,5,5-tetramethylpyrrolidine-3,4-dione?
The InChIKey is CMQYYRORUFUZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-7(2)5(10)6(11)8(3,4)9-7/h9H,1-4H3.
What are the key properties of 2,2,5,5-tetramethylpyrrolidine-3,4-dione?
2,2,5,5-tetramethylpyrrolidine-3,4-dione has a molecular weight of 155.20 g/mol, XLogP of 0.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetramethylpyrrolidine-3,4-dione is sourced from PubChem (CID 69038766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).