1-[(E)-2-iodoethenyl]pyrrolidine-2,5-dione

C6H6INO2 — CID 139241093

IUPAC1-[(E)-2-iodoethenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1/C=C/I
InChIInChI=1S/C6H6INO2/c7-3-4-8-5(9)1-2-6(8)10/h3-4H,1-2H2/b4-3+
InChIKeyCTZSWLGNODCQLN-ONEGZZNKSA-N
MW251.02 g/mol
LogP1.04
Rot. Bonds1

About 1-[(E)-2-iodoethenyl]pyrrolidine-2,5-dione

1-[(E)-2-iodoethenyl]pyrrolidine-2,5-dione (PubChem CID 139241093) has the molecular formula C6H6INO2 and a molecular weight of 251.02 g/mol. Its IUPAC name is 1-[(E)-2-iodoethenyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[(E)-2-iodoethenyl]pyrrolidine-2,5-dione
PubChem CID139241093
Molecular FormulaC6H6INO2
Molecular Weight251.02 g/mol
Exact Mass250.94
IUPAC Name1-[(E)-2-iodoethenyl]pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1/C=C/I
InChIInChI=1S/C6H6INO2/c7-3-4-8-5(9)1-2-6(8)10/h3-4H,1-2H2/b4-3+
InChIKeyCTZSWLGNODCQLN-ONEGZZNKSA-N
XLogP1.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.02
LogP ≤ 51.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-2-iodoethenyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[(E)-2-iodoethenyl]pyrrolidine-2,5-dione (CID 139241093) is 1-[(E)-2-iodoethenyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[(E)-2-iodoethenyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[(E)-2-iodoethenyl]pyrrolidine-2,5-dione is O=C1CCC(=O)N1/C=C/I.
What is the InChIKey of 1-[(E)-2-iodoethenyl]pyrrolidine-2,5-dione?
The InChIKey is CTZSWLGNODCQLN-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H6INO2/c7-3-4-8-5(9)1-2-6(8)10/h3-4H,1-2H2/b4-3+.
What are the key properties of 1-[(E)-2-iodoethenyl]pyrrolidine-2,5-dione?
1-[(E)-2-iodoethenyl]pyrrolidine-2,5-dione has a molecular weight of 251.02 g/mol, XLogP of 1.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-iodoethenyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 139241093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).