3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione

C9H12INO2 — CID 139266077

IUPAC3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione
SMILESO=C1CC([C@H]2CCC(I)C2)C(=O)N1
InChIInChI=1S/C9H12INO2/c10-6-2-1-5(3-6)7-4-8(12)11-9(7)13/h5-7H,1-4H2,(H,11,12,13)/t5-,6?,7?/m0/s1
InChIKeyXSZIBZXLTWEIAN-VTSJMVTISA-N
MW293.10 g/mol
LogP1.25
Rot. Bonds1

About 3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione

3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione (PubChem CID 139266077) has the molecular formula C9H12INO2 and a molecular weight of 293.10 g/mol. Its IUPAC name is 3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione
PubChem CID139266077
Molecular FormulaC9H12INO2
Molecular Weight293.10 g/mol
Exact Mass292.99
IUPAC Name3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione
SMILESO=C1CC([C@H]2CCC(I)C2)C(=O)N1
InChIInChI=1S/C9H12INO2/c10-6-2-1-5(3-6)7-4-8(12)11-9(7)13/h5-7H,1-4H2,(H,11,12,13)/t5-,6?,7?/m0/s1
InChIKeyXSZIBZXLTWEIAN-VTSJMVTISA-N
XLogP1.25
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.10
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione?
The IUPAC name of 3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione (CID 139266077) is 3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione is O=C1CC([C@H]2CCC(I)C2)C(=O)N1.
What is the InChIKey of 3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione?
The InChIKey is XSZIBZXLTWEIAN-VTSJMVTISA-N. The full InChI is InChI=1S/C9H12INO2/c10-6-2-1-5(3-6)7-4-8(12)11-9(7)13/h5-7H,1-4H2,(H,11,12,13)/t5-,6?,7?/m0/s1.
What are the key properties of 3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione?
3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione has a molecular weight of 293.10 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-3-iodocyclopentyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 139266077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).