(3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone

C12H14INO2 — CID 104629244

IUPAC(3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C12H14INO2/c1-8-3-2-6-14(8)12(16)9-4-5-10(13)11(15)7-9/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyDNKKWRMMCFDJOF-UHFFFAOYSA-N
MW331.15 g/mol
LogP2.62
Rot. Bonds1

About (3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone

(3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 104629244) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is (3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID104629244
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Name(3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1ccc(I)c(O)c1
InChIInChI=1S/C12H14INO2/c1-8-3-2-6-14(8)12(16)9-4-5-10(13)11(15)7-9/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyDNKKWRMMCFDJOF-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone 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

(2,6-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104628294
(3-chloro-4-iodophenyl)-(2-methylpiperidin-1-yl)methanone
CID 103734678
(3-hydroxy-4-methoxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 79672444
methyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
CID 104627850
ethyl 1-(3-hydroxy-4-iodobenzoyl)piperidine-2-carboxylate
CID 104627941
(3-hydroxy-4-iodophenyl)-pyrrolidin-1-ylmethanone
CID 104627285
(3,4-dimethylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104629925
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
(4-tert-butyl-3-chlorophenyl)-(2-methylpyrrolidin-1-yl)methanone
CID 142238320
methyl 3-[(2S)-2-methylpyrrolidine-1-carbonyl]benzoate
CID 138479596
[3-(methylamino)phenyl]-(2-methylpyrrolidin-1-yl)methanone
CID 83625399
(4-tert-butylpiperidin-1-yl)-(3-hydroxy-4-iodophenyl)methanone
CID 104628553

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone (CID 104629244) is (3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1ccc(I)c(O)c1.
What is the InChIKey of (3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is DNKKWRMMCFDJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c1-8-3-2-6-14(8)12(16)9-4-5-10(13)11(15)7-9/h4-5,7-8,15H,2-3,6H2,1H3.
What are the key properties of (3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone?
(3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 331.15 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-4-iodophenyl)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 104629244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).