3-methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione

C7H11NO2 — CID 46781517

IUPAC3-methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione
SMILES[2H]C([2H])([2H])CC1(C)CC(=O)NC1=O
InChIInChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)/i1D3
InChIKeyHAPOVYFOVVWLRS-FIBGUPNXSA-N
MW144.19 g/mol
LogP0.45
Rot. Bonds2

About 3-methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione

3-methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione (PubChem CID 46781517) has the molecular formula C7H11NO2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 3-methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione
PubChem CID46781517
Molecular FormulaC7H11NO2
Molecular Weight144.19 g/mol
Exact Mass144.10
IUPAC Name3-methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione
SMILES[2H]C([2H])([2H])CC1(C)CC(=O)NC1=O
InChIInChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)/i1D3
InChIKeyHAPOVYFOVVWLRS-FIBGUPNXSA-N
XLogP0.45
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione (CID 46781517) is 3-methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione is [2H]C([2H])([2H])CC1(C)CC(=O)NC1=O.
What is the InChIKey of 3-methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione?
The InChIKey is HAPOVYFOVVWLRS-FIBGUPNXSA-N. The full InChI is InChI=1S/C7H11NO2/c1-3-7(2)4-5(9)8-6(7)10/h3-4H2,1-2H3,(H,8,9,10)/i1D3.
What are the key properties of 3-methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione?
3-methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione has a molecular weight of 144.19 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2,2,2-trideuterioethyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 46781517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).