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

C9H15NO3 — CID 146169233

IUPAC1-methoxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione
SMILESCON1C(C)(C)C(=O)C(=O)C1(C)C
InChIInChI=1S/C9H15NO3/c1-8(2)6(11)7(12)9(3,4)10(8)13-5/h1-5H3
InChIKeyPBCGADILHMLJOP-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.56
Rot. Bonds1

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

1-methoxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione (PubChem CID 146169233) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione.

Molecular Properties

Compound Name1-methoxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione
PubChem CID146169233
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-methoxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione
SMILESCON1C(C)(C)C(=O)C(=O)C1(C)C
InChIInChI=1S/C9H15NO3/c1-8(2)6(11)7(12)9(3,4)10(8)13-5/h1-5H3
InChIKeyPBCGADILHMLJOP-UHFFFAOYSA-N
XLogP0.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione?
The IUPAC name of 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione (CID 146169233) is 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione.
What is the SMILES notation for 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione?
The canonical SMILES for 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione is CON1C(C)(C)C(=O)C(=O)C1(C)C.
What is the InChIKey of 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione?
The InChIKey is PBCGADILHMLJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-8(2)6(11)7(12)9(3,4)10(8)13-5/h1-5H3.
What are the key properties of 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione?
1-methoxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione has a molecular weight of 185.22 g/mol, XLogP of 0.56, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,2,5,5-tetramethylpyrrolidine-3,4-dione is sourced from PubChem (CID 146169233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).