4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one

C11H12INO2 — CID 168663581

IUPAC4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(I)cc1
InChIInChI=1S/C11H12INO2/c12-9-1-3-10(4-2-9)13-6-8(7-14)5-11(13)15/h1-4,8,14H,5-7H2
InChIKeyMOEKGDKXNJSZQJ-UHFFFAOYSA-N
MW317.13 g/mol
LogP1.64
Rot. Bonds2

About 4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one

4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one (PubChem CID 168663581) has the molecular formula C11H12INO2 and a molecular weight of 317.13 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
PubChem CID168663581
Molecular FormulaC11H12INO2
Molecular Weight317.13 g/mol
Exact Mass316.99
IUPAC Name4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
SMILESO=C1CC(CO)CN1c1ccc(I)cc1
InChIInChI=1S/C11H12INO2/c12-9-1-3-10(4-2-9)13-6-8(7-14)5-11(13)15/h1-4,8,14H,5-7H2
InChIKeyMOEKGDKXNJSZQJ-UHFFFAOYSA-N
XLogP1.64
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
1-[4-(4-chlorophenoxy)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 22116043
methyl 4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 83726248
4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]-N,N-dimethylbenzamide
CID 168662211
4-(hydroxymethyl)-1-pyridazin-4-ylpyrrolidin-2-one
CID 168664190
1-(6-bromo-3-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663597
1-[4-(2-fluorophenyl)phenyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 166365391
4-(hydroxymethyl)-1-(4-pentylphenyl)pyrrolidin-2-one
CID 22115930
N-[4-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]-N-methylacetamide
CID 168662022
1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664025
4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one
CID 168663170

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one (CID 168663581) is 4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one is O=C1CC(CO)CN1c1ccc(I)cc1.
What is the InChIKey of 4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one?
The InChIKey is MOEKGDKXNJSZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO2/c12-9-1-3-10(4-2-9)13-6-8(7-14)5-11(13)15/h1-4,8,14H,5-7H2.
What are the key properties of 4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one?
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one has a molecular weight of 317.13 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168663581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).