5-hydroxy-1-(5-iodo-2-pyridinyl)-4,4-dimethylpyrrolidin-2-one

C11H13IN2O2 — CID 58464056

IUPAC5-hydroxy-1-(5-iodo-2-pyridinyl)-4,4-dimethylpyrrolidin-2-one
SMILESCC1(C)CC(=O)N(c2ccc(I)cn2)C1O
InChIInChI=1S/C11H13IN2O2/c1-11(2)5-9(15)14(10(11)16)8-4-3-7(12)6-13-8/h3-4,6,10,16H,5H2,1-2H3
InChIKeyTXFDQBMCLQVEDC-UHFFFAOYSA-N
MW332.14 g/mol
LogP1.77
Rot. Bonds1

About 5-hydroxy-1-(5-iodo-2-pyridinyl)-4,4-dimethylpyrrolidin-2-one

5-hydroxy-1-(5-iodo-2-pyridinyl)-4,4-dimethylpyrrolidin-2-one (PubChem CID 58464056) has the molecular formula C11H13IN2O2 and a molecular weight of 332.14 g/mol. Its IUPAC name is 5-hydroxy-1-(5-iodo-2-pyridinyl)-4,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-1-(5-iodo-2-pyridinyl)-4,4-dimethylpyrrolidin-2-one
PubChem CID58464056
Molecular FormulaC11H13IN2O2
Molecular Weight332.14 g/mol
Exact Mass332.00
IUPAC Name5-hydroxy-1-(5-iodo-2-pyridinyl)-4,4-dimethylpyrrolidin-2-one
SMILESCC1(C)CC(=O)N(c2ccc(I)cn2)C1O
InChIInChI=1S/C11H13IN2O2/c1-11(2)5-9(15)14(10(11)16)8-4-3-7(12)6-13-8/h3-4,6,10,16H,5H2,1-2H3
InChIKeyTXFDQBMCLQVEDC-UHFFFAOYSA-N
XLogP1.77
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.14
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(5-iodo-2-pyridinyl)-4,4-dimethylpyrrolidin-2-one?
The IUPAC name of 5-hydroxy-1-(5-iodo-2-pyridinyl)-4,4-dimethylpyrrolidin-2-one (CID 58464056) is 5-hydroxy-1-(5-iodo-2-pyridinyl)-4,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for 5-hydroxy-1-(5-iodo-2-pyridinyl)-4,4-dimethylpyrrolidin-2-one?
The canonical SMILES for 5-hydroxy-1-(5-iodo-2-pyridinyl)-4,4-dimethylpyrrolidin-2-one is CC1(C)CC(=O)N(c2ccc(I)cn2)C1O.
What is the InChIKey of 5-hydroxy-1-(5-iodo-2-pyridinyl)-4,4-dimethylpyrrolidin-2-one?
The InChIKey is TXFDQBMCLQVEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13IN2O2/c1-11(2)5-9(15)14(10(11)16)8-4-3-7(12)6-13-8/h3-4,6,10,16H,5H2,1-2H3.
What are the key properties of 5-hydroxy-1-(5-iodo-2-pyridinyl)-4,4-dimethylpyrrolidin-2-one?
5-hydroxy-1-(5-iodo-2-pyridinyl)-4,4-dimethylpyrrolidin-2-one has a molecular weight of 332.14 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(5-iodo-2-pyridinyl)-4,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 58464056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).