2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid

C8H11NO3Se — CID 173433095

IUPAC2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid
SMILESCCC(C(=O)[SeH])N1C(=O)CCC1=O
InChIInChI=1S/C8H11NO3Se/c1-2-5(8(12)13)9-6(10)3-4-7(9)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyUVLHYGSRBZTKSO-UHFFFAOYSA-N
MW248.14 g/mol
LogP-0.66
Rot. Bonds3

About 2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid

2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid (PubChem CID 173433095) has the molecular formula C8H11NO3Se and a molecular weight of 248.14 g/mol. Its IUPAC name is 2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid.

Molecular Properties

Compound Name2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid
PubChem CID173433095
Molecular FormulaC8H11NO3Se
Molecular Weight248.14 g/mol
Exact Mass248.99
IUPAC Name2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid
SMILESCCC(C(=O)[SeH])N1C(=O)CCC1=O
InChIInChI=1S/C8H11NO3Se/c1-2-5(8(12)13)9-6(10)3-4-7(9)11/h5H,2-4H2,1H3,(H,12,13)
InChIKeyUVLHYGSRBZTKSO-UHFFFAOYSA-N
XLogP-0.66
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.14
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dioxopyrrol-1-yl) (2S)-2-(2,5-dioxopyrrolidin-1-yl)butanoate
CID 164785156
2-(2,5-dioxopyrrolidin-1-yl)-N-(4-fluorophenyl)butanamide
CID 127043032
1-(1-aminopropyl)pyrrolidine-2,5-dione
CID 155092296
2-(2,5-dioxopyrrolidin-1-yl)-3-(methylamino)propanoic acid
CID 142287139
1-(2-hydroxy-2-methylpentan-3-yl)pyrrolidine-2,5-dione
CID 127013554
1-(3-methylpentan-2-yl)pyrrolidine-2,5-dione
CID 126487377
methyl 2,3-bis(2,5-dioxopyrrolidin-1-yl)propanoate
CID 155803355
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-4-oxobutanoic acid
CID 67414424
(2R)-4-amino-2-(2,5-dioxopyrrolidin-1-yl)-4-oxobutanoic acid
CID 96905556
N-[(3-chlorophenyl)methyl]-2-(2,5-dioxopyrrolidin-1-yl)butanamide
CID 118729021
(2R)-2-(2,5-dioxopyrrolidin-1-yl)pentanedioate
CID 7039487
2-[bis(2,5-dioxopyrrolidin-1-yl)methyl]-2-methylpropanedioic acid
CID 118208289

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid?
The IUPAC name of 2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid (CID 173433095) is 2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid.
What is the SMILES notation for 2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid?
The canonical SMILES for 2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid is CCC(C(=O)[SeH])N1C(=O)CCC1=O.
What is the InChIKey of 2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid?
The InChIKey is UVLHYGSRBZTKSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3Se/c1-2-5(8(12)13)9-6(10)3-4-7(9)11/h5H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid?
2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid has a molecular weight of 248.14 g/mol, XLogP of -0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxopyrrolidin-1-yl)butaneselenoic Se-acid is sourced from PubChem (CID 173433095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).