4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one

C12H14INO2 — CID 168663170

IUPAC4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1Cc1ccc(I)cc1
InChIInChI=1S/C12H14INO2/c13-11-3-1-9(2-4-11)6-14-7-10(8-15)5-12(14)16/h1-4,10,15H,5-8H2
InChIKeyZKQCDSGOCBJFPR-UHFFFAOYSA-N
MW331.15 g/mol
LogP1.63
Rot. Bonds3

About 4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one

4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one (PubChem CID 168663170) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is 4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one
PubChem CID168663170
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Name4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(CO)CN1Cc1ccc(I)cc1
InChIInChI=1S/C12H14INO2/c13-11-3-1-9(2-4-11)6-14-7-10(8-15)5-12(14)16/h1-4,10,15H,5-8H2
InChIKeyZKQCDSGOCBJFPR-UHFFFAOYSA-N
XLogP1.63
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(4-ethylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 106900848
N-[4-[[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]methyl]phenyl]acetamide
CID 168662043
1-[(3,4-dimethoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 13422557
4-(hydroxymethyl)-1-(4-iodophenyl)pyrrolidin-2-one
CID 168663581
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663160
4-(hydroxymethyl)-1-(imidazo[1,2-a]pyridin-6-ylmethyl)pyrrolidin-2-one
CID 168663176
S-[[1-[(4-methylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667330
1-[(2,3-dichlorophenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663225
1-[(4-chloro-2-methylphenyl)methyl]-4-(hydroxymethyl)pyrrolidin-2-one
CID 23326524
1-[[4-(aminomethyl)phenyl]methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671137
4-(hydroxymethyl)-1-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 13422569
S-[[1-[(4-methylsulfonylphenyl)methyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168666966

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one (CID 168663170) is 4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one is O=C1CC(CO)CN1Cc1ccc(I)cc1.
What is the InChIKey of 4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one?
The InChIKey is ZKQCDSGOCBJFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c13-11-3-1-9(2-4-11)6-14-7-10(8-15)5-12(14)16/h1-4,10,15H,5-8H2.
What are the key properties of 4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one?
4-(hydroxymethyl)-1-[(4-iodophenyl)methyl]pyrrolidin-2-one has a molecular weight of 331.15 g/mol, XLogP of 1.63, 3 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)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168663170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).