2,2,5,5-tetrakis(trideuteriomethyl)pyrrolidin-3-one

C8H15NO — CID 88524596

IUPAC2,2,5,5-tetrakis(trideuteriomethyl)pyrrolidin-3-one
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])CC(=O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N1
InChIInChI=1S/C8H15NO/c1-7(2)5-6(10)8(3,4)9-7/h9H,5H2,1-4H3/i1D3,2D3,3D3,4D3
InChIKeyNQDVQRKVEZYOBD-MGKWXGLJSA-N
MW153.29 g/mol
LogP1.11
Rot. Bonds4

About 2,2,5,5-tetrakis(trideuteriomethyl)pyrrolidin-3-one

2,2,5,5-tetrakis(trideuteriomethyl)pyrrolidin-3-one (PubChem CID 88524596) has the molecular formula C8H15NO and a molecular weight of 153.29 g/mol. Its IUPAC name is 2,2,5,5-tetrakis(trideuteriomethyl)pyrrolidin-3-one.

Molecular Properties

Compound Name2,2,5,5-tetrakis(trideuteriomethyl)pyrrolidin-3-one
PubChem CID88524596
Molecular FormulaC8H15NO
Molecular Weight153.29 g/mol
Exact Mass153.19
IUPAC Name2,2,5,5-tetrakis(trideuteriomethyl)pyrrolidin-3-one
SMILES[2H]C([2H])([2H])C1(C([2H])([2H])[2H])CC(=O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N1
InChIInChI=1S/C8H15NO/c1-7(2)5-6(10)8(3,4)9-7/h9H,5H2,1-4H3/i1D3,2D3,3D3,4D3
InChIKeyNQDVQRKVEZYOBD-MGKWXGLJSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetrakis(trideuteriomethyl)pyrrolidin-3-one?
The IUPAC name of 2,2,5,5-tetrakis(trideuteriomethyl)pyrrolidin-3-one (CID 88524596) is 2,2,5,5-tetrakis(trideuteriomethyl)pyrrolidin-3-one.
What is the SMILES notation for 2,2,5,5-tetrakis(trideuteriomethyl)pyrrolidin-3-one?
The canonical SMILES for 2,2,5,5-tetrakis(trideuteriomethyl)pyrrolidin-3-one is [2H]C([2H])([2H])C1(C([2H])([2H])[2H])CC(=O)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])N1.
What is the InChIKey of 2,2,5,5-tetrakis(trideuteriomethyl)pyrrolidin-3-one?
The InChIKey is NQDVQRKVEZYOBD-MGKWXGLJSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)5-6(10)8(3,4)9-7/h9H,5H2,1-4H3/i1D3,2D3,3D3,4D3.
What are the key properties of 2,2,5,5-tetrakis(trideuteriomethyl)pyrrolidin-3-one?
2,2,5,5-tetrakis(trideuteriomethyl)pyrrolidin-3-one has a molecular weight of 153.29 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetrakis(trideuteriomethyl)pyrrolidin-3-one is sourced from PubChem (CID 88524596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).