(2R)-5-oxopyrrolidine-2-carbonyl iodide

C5H6INO2 — CID 89494882

IUPAC(2R)-5-oxopyrrolidine-2-carbonyl iodide
SMILESO=C1CC[C@H](C(=O)I)N1
InChIInChI=1S/C5H6INO2/c6-5(9)3-1-2-4(8)7-3/h3H,1-2H2,(H,7,8)/t3-/m1/s1
InChIKeyCTSNGKWOEHGVLU-GSVOUGTGSA-N
MW239.01 g/mol
LogP0.23
Rot. Bonds1

About (2R)-5-oxopyrrolidine-2-carbonyl iodide

(2R)-5-oxopyrrolidine-2-carbonyl iodide (PubChem CID 89494882) has the molecular formula C5H6INO2 and a molecular weight of 239.01 g/mol. Its IUPAC name is (2R)-5-oxopyrrolidine-2-carbonyl iodide.

Molecular Properties

Compound Name(2R)-5-oxopyrrolidine-2-carbonyl iodide
PubChem CID89494882
Molecular FormulaC5H6INO2
Molecular Weight239.01 g/mol
Exact Mass238.94
IUPAC Name(2R)-5-oxopyrrolidine-2-carbonyl iodide
SMILESO=C1CC[C@H](C(=O)I)N1
InChIInChI=1S/C5H6INO2/c6-5(9)3-1-2-4(8)7-3/h3H,1-2H2,(H,7,8)/t3-/m1/s1
InChIKeyCTSNGKWOEHGVLU-GSVOUGTGSA-N
XLogP0.23
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.01
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-oxopyrrolidine-2-carbonyl iodide?
The IUPAC name of (2R)-5-oxopyrrolidine-2-carbonyl iodide (CID 89494882) is (2R)-5-oxopyrrolidine-2-carbonyl iodide.
What is the SMILES notation for (2R)-5-oxopyrrolidine-2-carbonyl iodide?
The canonical SMILES for (2R)-5-oxopyrrolidine-2-carbonyl iodide is O=C1CC[C@H](C(=O)I)N1.
What is the InChIKey of (2R)-5-oxopyrrolidine-2-carbonyl iodide?
The InChIKey is CTSNGKWOEHGVLU-GSVOUGTGSA-N. The full InChI is InChI=1S/C5H6INO2/c6-5(9)3-1-2-4(8)7-3/h3H,1-2H2,(H,7,8)/t3-/m1/s1.
What are the key properties of (2R)-5-oxopyrrolidine-2-carbonyl iodide?
(2R)-5-oxopyrrolidine-2-carbonyl iodide has a molecular weight of 239.01 g/mol, XLogP of 0.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-oxopyrrolidine-2-carbonyl iodide is sourced from PubChem (CID 89494882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).