5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one

C6H10INO2 — CID 129106299

IUPAC5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one
SMILESCC1C(=O)N(I)C(O)C1C
InChIInChI=1S/C6H10INO2/c1-3-4(2)6(10)8(7)5(3)9/h3-5,9H,1-2H3
InChIKeyQHBPUGSEKBDYJS-UHFFFAOYSA-N
MW255.06 g/mol
LogP0.77
Rot. Bonds

About 5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one

5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one (PubChem CID 129106299) has the molecular formula C6H10INO2 and a molecular weight of 255.06 g/mol. Its IUPAC name is 5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one
PubChem CID129106299
Molecular FormulaC6H10INO2
Molecular Weight255.06 g/mol
Exact Mass254.98
IUPAC Name5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one
SMILESCC1C(=O)N(I)C(O)C1C
InChIInChI=1S/C6H10INO2/c1-3-4(2)6(10)8(7)5(3)9/h3-5,9H,1-2H3
InChIKeyQHBPUGSEKBDYJS-UHFFFAOYSA-N
XLogP0.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.06
LogP ≤ 50.77
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 5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one (CID 129106299) is 5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one is CC1C(=O)N(I)C(O)C1C.
What is the InChIKey of 5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one?
The InChIKey is QHBPUGSEKBDYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO2/c1-3-4(2)6(10)8(7)5(3)9/h3-5,9H,1-2H3.
What are the key properties of 5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one?
5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one has a molecular weight of 255.06 g/mol, XLogP of 0.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-iodo-3,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 129106299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).