4,4,5,5-tetradeuterio-3-hydroxy-1,3-dimethylpyrrolidin-2-one

C6H11NO2 — CID 177263039

IUPAC4,4,5,5-tetradeuterio-3-hydroxy-1,3-dimethylpyrrolidin-2-one
SMILES[2H]C1([2H])N(C)C(=O)C(C)(O)C1([2H])[2H]
InChIInChI=1S/C6H11NO2/c1-6(9)3-4-7(2)5(6)8/h9H,3-4H2,1-2H3/i3D2,4D2
InChIKeyBTOJVTMLWQHBNR-KHORGVISSA-N
MW133.18 g/mol
LogP-0.40
Rot. Bonds

About 4,4,5,5-tetradeuterio-3-hydroxy-1,3-dimethylpyrrolidin-2-one

4,4,5,5-tetradeuterio-3-hydroxy-1,3-dimethylpyrrolidin-2-one (PubChem CID 177263039) has the molecular formula C6H11NO2 and a molecular weight of 133.18 g/mol. Its IUPAC name is 4,4,5,5-tetradeuterio-3-hydroxy-1,3-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4,4,5,5-tetradeuterio-3-hydroxy-1,3-dimethylpyrrolidin-2-one
PubChem CID177263039
Molecular FormulaC6H11NO2
Molecular Weight133.18 g/mol
Exact Mass133.10
IUPAC Name4,4,5,5-tetradeuterio-3-hydroxy-1,3-dimethylpyrrolidin-2-one
SMILES[2H]C1([2H])N(C)C(=O)C(C)(O)C1([2H])[2H]
InChIInChI=1S/C6H11NO2/c1-6(9)3-4-7(2)5(6)8/h9H,3-4H2,1-2H3/i3D2,4D2
InChIKeyBTOJVTMLWQHBNR-KHORGVISSA-N
XLogP-0.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.18
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetradeuterio-3-hydroxy-1,3-dimethylpyrrolidin-2-one?
The IUPAC name of 4,4,5,5-tetradeuterio-3-hydroxy-1,3-dimethylpyrrolidin-2-one (CID 177263039) is 4,4,5,5-tetradeuterio-3-hydroxy-1,3-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4,4,5,5-tetradeuterio-3-hydroxy-1,3-dimethylpyrrolidin-2-one?
The canonical SMILES for 4,4,5,5-tetradeuterio-3-hydroxy-1,3-dimethylpyrrolidin-2-one is [2H]C1([2H])N(C)C(=O)C(C)(O)C1([2H])[2H].
What is the InChIKey of 4,4,5,5-tetradeuterio-3-hydroxy-1,3-dimethylpyrrolidin-2-one?
The InChIKey is BTOJVTMLWQHBNR-KHORGVISSA-N. The full InChI is InChI=1S/C6H11NO2/c1-6(9)3-4-7(2)5(6)8/h9H,3-4H2,1-2H3/i3D2,4D2.
What are the key properties of 4,4,5,5-tetradeuterio-3-hydroxy-1,3-dimethylpyrrolidin-2-one?
4,4,5,5-tetradeuterio-3-hydroxy-1,3-dimethylpyrrolidin-2-one has a molecular weight of 133.18 g/mol, XLogP of -0.40, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetradeuterio-3-hydroxy-1,3-dimethylpyrrolidin-2-one is sourced from PubChem (CID 177263039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).