1,3,3,5-tetramethylpyrrolidine-2,4-dione

C8H13NO2 — CID 175274212

IUPAC1,3,3,5-tetramethylpyrrolidine-2,4-dione
SMILESCC1C(=O)C(C)(C)C(=O)N1C
InChIInChI=1S/C8H13NO2/c1-5-6(10)8(2,3)7(11)9(5)4/h5H,1-4H3
InChIKeyLBNIOHGZOFPWEX-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.44
Rot. Bonds

About 1,3,3,5-tetramethylpyrrolidine-2,4-dione

1,3,3,5-tetramethylpyrrolidine-2,4-dione (PubChem CID 175274212) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1,3,3,5-tetramethylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name1,3,3,5-tetramethylpyrrolidine-2,4-dione
PubChem CID175274212
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1,3,3,5-tetramethylpyrrolidine-2,4-dione
SMILESCC1C(=O)C(C)(C)C(=O)N1C
InChIInChI=1S/C8H13NO2/c1-5-6(10)8(2,3)7(11)9(5)4/h5H,1-4H3
InChIKeyLBNIOHGZOFPWEX-UHFFFAOYSA-N
XLogP0.44
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,5-tetramethylpyrrolidine-2,4-dione?
The IUPAC name of 1,3,3,5-tetramethylpyrrolidine-2,4-dione (CID 175274212) is 1,3,3,5-tetramethylpyrrolidine-2,4-dione.
What is the SMILES notation for 1,3,3,5-tetramethylpyrrolidine-2,4-dione?
The canonical SMILES for 1,3,3,5-tetramethylpyrrolidine-2,4-dione is CC1C(=O)C(C)(C)C(=O)N1C.
What is the InChIKey of 1,3,3,5-tetramethylpyrrolidine-2,4-dione?
The InChIKey is LBNIOHGZOFPWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-5-6(10)8(2,3)7(11)9(5)4/h5H,1-4H3.
What are the key properties of 1,3,3,5-tetramethylpyrrolidine-2,4-dione?
1,3,3,5-tetramethylpyrrolidine-2,4-dione has a molecular weight of 155.20 g/mol, XLogP of 0.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,5-tetramethylpyrrolidine-2,4-dione is sourced from PubChem (CID 175274212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).