[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone

C12H14INO2 — CID 66261712

IUPAC[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)N1CCC[C@H]1CO
InChIInChI=1S/C12H14INO2/c13-11-6-2-1-5-10(11)12(16)14-7-3-4-9(14)8-15/h1-2,5-6,9,15H,3-4,7-8H2/t9-/m0/s1
InChIKeyBAGPUOVOISQVAX-VIFPVBQESA-N
MW331.15 g/mol
LogP1.89
Rot. Bonds2

About [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone (PubChem CID 66261712) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone.

Molecular Properties

Compound Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
PubChem CID66261712
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Name[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
SMILESO=C(c1ccccc1I)N1CCC[C@H]1CO
InChIInChI=1S/C12H14INO2/c13-11-6-2-1-5-10(11)12(16)14-7-3-4-9(14)8-15/h1-2,5-6,9,15H,3-4,7-8H2/t9-/m0/s1
InChIKeyBAGPUOVOISQVAX-VIFPVBQESA-N
XLogP1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)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-(bromomethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone
CID 80677593
(2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55137776
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-naphthalen-1-ylmethanone
CID 14622137
[2-(dimethylamino)phenyl]-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 110473297
3-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 66262185
(2-anilinophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 54043507
(3-chloro-2-methylphenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107097816
(2-ethylphenyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636551
[2-(hydroxymethyl)azepan-1-yl]-(2-iodo-3-methylphenyl)methanone
CID 114029406
methyl 2-[(2S)-2-(hydroxymethyl)piperidine-1-carbonyl]benzoate
CID 156874403
(3-amino-2-methylphenyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107209984
(2-bromo-5-iodophenyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 104955450

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone?
The IUPAC name of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone (CID 66261712) is [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone.
What is the SMILES notation for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone?
The canonical SMILES for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone is O=C(c1ccccc1I)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone?
The InChIKey is BAGPUOVOISQVAX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H14INO2/c13-11-6-2-1-5-10(11)12(16)14-7-3-4-9(14)8-15/h1-2,5-6,9,15H,3-4,7-8H2/t9-/m0/s1.
What are the key properties of [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone?
[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone has a molecular weight of 331.15 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-(2-iodophenyl)methanone is sourced from PubChem (CID 66261712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).