1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione

C11H11NO2 — CID 171688557

IUPAC1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
SMILES[2H]C1([2H])C(=O)N(Cc2ccccc2)C(=O)C1([2H])[2H]
InChIInChI=1S/C11H11NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2/i6D2,7D2
InChIKeyIONNJVQITCVNHK-KXGHAPEVSA-N
MW193.24 g/mol
LogP1.34
Rot. Bonds2

About 1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione

1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione (PubChem CID 171688557) has the molecular formula C11H11NO2 and a molecular weight of 193.24 g/mol. Its IUPAC name is 1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
PubChem CID171688557
Molecular FormulaC11H11NO2
Molecular Weight193.24 g/mol
Exact Mass193.10
IUPAC Name1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione
SMILES[2H]C1([2H])C(=O)N(Cc2ccccc2)C(=O)C1([2H])[2H]
InChIInChI=1S/C11H11NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2/i6D2,7D2
InChIKeyIONNJVQITCVNHK-KXGHAPEVSA-N
XLogP1.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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1-benzyl-7-methyl-3H-indol-2-one
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[(3R)-1-benzyl-2,5-dioxopyrrolidin-3-yl]-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]azanium
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1-benzyl-3-hydroxypyrrole-2,5-dione
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(3R,4R)-1-benzyl-3,4-dihydroxypyrrolidine-2,5-dione
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(3S)-1-benzyl-3-[4-[(3S)-1-benzyl-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
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1-benzyl-4H-3,1-benzoxazin-2-one
CID 902529
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CID 141267473

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione (CID 171688557) is 1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione is [2H]C1([2H])C(=O)N(Cc2ccccc2)C(=O)C1([2H])[2H].
What is the InChIKey of 1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione?
The InChIKey is IONNJVQITCVNHK-KXGHAPEVSA-N. The full InChI is InChI=1S/C11H11NO2/c13-10-6-7-11(14)12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2/i6D2,7D2.
What are the key properties of 1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione?
1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione has a molecular weight of 193.24 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,3,4,4-tetradeuteriopyrrolidine-2,5-dione is sourced from PubChem (CID 171688557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).