2-hydroxy-1-iodo-2H-pyrrol-5-one

C4H4INO2 — CID 154526580

IUPAC2-hydroxy-1-iodo-2H-pyrrol-5-one
SMILESO=C1C=CC(O)N1I
InChIInChI=1S/C4H4INO2/c5-6-3(7)1-2-4(6)8/h1-3,7H
InChIKeyMRKIKVAPDVANIV-UHFFFAOYSA-N
MW224.99 g/mol
LogP0.05
Rot. Bonds

About 2-hydroxy-1-iodo-2H-pyrrol-5-one

2-hydroxy-1-iodo-2H-pyrrol-5-one (PubChem CID 154526580) has the molecular formula C4H4INO2 and a molecular weight of 224.99 g/mol. Its IUPAC name is 2-hydroxy-1-iodo-2H-pyrrol-5-one.

Molecular Properties

Compound Name2-hydroxy-1-iodo-2H-pyrrol-5-one
PubChem CID154526580
Molecular FormulaC4H4INO2
Molecular Weight224.99 g/mol
Exact Mass224.93
IUPAC Name2-hydroxy-1-iodo-2H-pyrrol-5-one
SMILESO=C1C=CC(O)N1I
InChIInChI=1S/C4H4INO2/c5-6-3(7)1-2-4(6)8/h1-3,7H
InChIKeyMRKIKVAPDVANIV-UHFFFAOYSA-N
XLogP0.05
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.99
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-iodo-2H-pyrrol-5-one?
The IUPAC name of 2-hydroxy-1-iodo-2H-pyrrol-5-one (CID 154526580) is 2-hydroxy-1-iodo-2H-pyrrol-5-one.
What is the SMILES notation for 2-hydroxy-1-iodo-2H-pyrrol-5-one?
The canonical SMILES for 2-hydroxy-1-iodo-2H-pyrrol-5-one is O=C1C=CC(O)N1I.
What is the InChIKey of 2-hydroxy-1-iodo-2H-pyrrol-5-one?
The InChIKey is MRKIKVAPDVANIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4INO2/c5-6-3(7)1-2-4(6)8/h1-3,7H.
What are the key properties of 2-hydroxy-1-iodo-2H-pyrrol-5-one?
2-hydroxy-1-iodo-2H-pyrrol-5-one has a molecular weight of 224.99 g/mol, XLogP of 0.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-iodo-2H-pyrrol-5-one is sourced from PubChem (CID 154526580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).