1-hydroxy-3-(2,2,2-trideuterioacetyl)pyrrolidine-2,5-dione

C6H7NO4 — CID 20802476

IUPAC1-hydroxy-3-(2,2,2-trideuterioacetyl)pyrrolidine-2,5-dione
SMILES[2H]C([2H])([2H])C(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C6H7NO4/c1-3(8)4-2-5(9)7(11)6(4)10/h4,11H,2H2,1H3/i1D3
InChIKeyHZCOYHCYNIAEOL-FIBGUPNXSA-N
MW160.14 g/mol
LogP-0.66
Rot. Bonds2

About 1-hydroxy-3-(2,2,2-trideuterioacetyl)pyrrolidine-2,5-dione

1-hydroxy-3-(2,2,2-trideuterioacetyl)pyrrolidine-2,5-dione (PubChem CID 20802476) has the molecular formula C6H7NO4 and a molecular weight of 160.14 g/mol. Its IUPAC name is 1-hydroxy-3-(2,2,2-trideuterioacetyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hydroxy-3-(2,2,2-trideuterioacetyl)pyrrolidine-2,5-dione
PubChem CID20802476
Molecular FormulaC6H7NO4
Molecular Weight160.14 g/mol
Exact Mass160.06
IUPAC Name1-hydroxy-3-(2,2,2-trideuterioacetyl)pyrrolidine-2,5-dione
SMILES[2H]C([2H])([2H])C(=O)C1CC(=O)N(O)C1=O
InChIInChI=1S/C6H7NO4/c1-3(8)4-2-5(9)7(11)6(4)10/h4,11H,2H2,1H3/i1D3
InChIKeyHZCOYHCYNIAEOL-FIBGUPNXSA-N
XLogP-0.66
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.14
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-(2,2,2-trideuterioacetyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-hydroxy-3-(2,2,2-trideuterioacetyl)pyrrolidine-2,5-dione (CID 20802476) is 1-hydroxy-3-(2,2,2-trideuterioacetyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-hydroxy-3-(2,2,2-trideuterioacetyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-hydroxy-3-(2,2,2-trideuterioacetyl)pyrrolidine-2,5-dione is [2H]C([2H])([2H])C(=O)C1CC(=O)N(O)C1=O.
What is the InChIKey of 1-hydroxy-3-(2,2,2-trideuterioacetyl)pyrrolidine-2,5-dione?
The InChIKey is HZCOYHCYNIAEOL-FIBGUPNXSA-N. The full InChI is InChI=1S/C6H7NO4/c1-3(8)4-2-5(9)7(11)6(4)10/h4,11H,2H2,1H3/i1D3.
What are the key properties of 1-hydroxy-3-(2,2,2-trideuterioacetyl)pyrrolidine-2,5-dione?
1-hydroxy-3-(2,2,2-trideuterioacetyl)pyrrolidine-2,5-dione has a molecular weight of 160.14 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-(2,2,2-trideuterioacetyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 20802476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).