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

C6H6INO4 — CID 19032247

IUPAC1-hydroxy-3-(2-iodoacetyl)pyrrolidine-2,5-dione
SMILESO=C(CI)C1CC(=O)N(O)C1=O
InChIInChI=1S/C6H6INO4/c7-2-4(9)3-1-5(10)8(12)6(3)11/h3,12H,1-2H2
InChIKeyRPAMJVCYUGTNKM-UHFFFAOYSA-N
MW283.02 g/mol
LogP-0.25
Rot. Bonds2

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

1-hydroxy-3-(2-iodoacetyl)pyrrolidine-2,5-dione (PubChem CID 19032247) has the molecular formula C6H6INO4 and a molecular weight of 283.02 g/mol. Its IUPAC name is 1-hydroxy-3-(2-iodoacetyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-hydroxy-3-(2-iodoacetyl)pyrrolidine-2,5-dione
PubChem CID19032247
Molecular FormulaC6H6INO4
Molecular Weight283.02 g/mol
Exact Mass282.93
IUPAC Name1-hydroxy-3-(2-iodoacetyl)pyrrolidine-2,5-dione
SMILESO=C(CI)C1CC(=O)N(O)C1=O
InChIInChI=1S/C6H6INO4/c7-2-4(9)3-1-5(10)8(12)6(3)11/h3,12H,1-2H2
InChIKeyRPAMJVCYUGTNKM-UHFFFAOYSA-N
XLogP-0.25
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.02
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'iodine', '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-iodoacetyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-hydroxy-3-(2-iodoacetyl)pyrrolidine-2,5-dione (CID 19032247) is 1-hydroxy-3-(2-iodoacetyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-hydroxy-3-(2-iodoacetyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-hydroxy-3-(2-iodoacetyl)pyrrolidine-2,5-dione is O=C(CI)C1CC(=O)N(O)C1=O.
What is the InChIKey of 1-hydroxy-3-(2-iodoacetyl)pyrrolidine-2,5-dione?
The InChIKey is RPAMJVCYUGTNKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6INO4/c7-2-4(9)3-1-5(10)8(12)6(3)11/h3,12H,1-2H2.
What are the key properties of 1-hydroxy-3-(2-iodoacetyl)pyrrolidine-2,5-dione?
1-hydroxy-3-(2-iodoacetyl)pyrrolidine-2,5-dione has a molecular weight of 283.02 g/mol, XLogP of -0.25, 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-iodoacetyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 19032247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).