3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol

C13H18INO — CID 95768844

IUPAC3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol
SMILESOCCCN1CCC[C@H]1c1ccccc1I
InChIInChI=1S/C13H18INO/c14-12-6-2-1-5-11(12)13-7-3-8-15(13)9-4-10-16/h1-2,5-6,13,16H,3-4,7-10H2/t13-/m0/s1
InChIKeyWZNAPRPFUXHKNQ-ZDUSSCGKSA-N
MW331.20 g/mol
LogP2.81
Rot. Bonds4

About 3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol

3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol (PubChem CID 95768844) has the molecular formula C13H18INO and a molecular weight of 331.20 g/mol. Its IUPAC name is 3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol
PubChem CID95768844
Molecular FormulaC13H18INO
Molecular Weight331.20 g/mol
Exact Mass331.04
IUPAC Name3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol
SMILESOCCCN1CCC[C@H]1c1ccccc1I
InChIInChI=1S/C13H18INO/c14-12-6-2-1-5-11(12)13-7-3-8-15(13)9-4-10-16/h1-2,5-6,13,16H,3-4,7-10H2/t13-/m0/s1
InChIKeyWZNAPRPFUXHKNQ-ZDUSSCGKSA-N
XLogP2.81
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.81
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

2-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 124721311
benzoic acid;3-(2-phenylpiperidin-1-yl)propan-1-ol;hydrochloride
CID 21153815
4-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]butanoic acid
CID 124564407
4-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-1-ol
CID 110931453
5-[2-(3-methylphenyl)pyrrolidin-1-yl]pentan-1-ol
CID 110923856
1-(3-hydroxypropyl)-2,3,4,5-tetrahydro-1-benzazepin-5-ol
CID 114338433
3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)propan-1-ol
CID 65319985
3-[(2R)-2-(2-bromophenyl)pyrrolidin-1-yl]propanoic acid
CID 125146594
3-(4-methyl-2-phenylpiperazin-1-yl)propan-1-ol
CID 43393739
3-[2-(3-phenylpropyl)piperidin-1-yl]propan-1-ol
CID 21153822
2-bromo-3-(1-butylpyrrolidin-2-yl)pyridine
CID 102539271
4-[2-(5-methylfuran-2-yl)azepan-1-yl]butan-1-ol
CID 111436491

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol?
The IUPAC name of 3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol (CID 95768844) is 3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol.
What is the SMILES notation for 3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol?
The canonical SMILES for 3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol is OCCCN1CCC[C@H]1c1ccccc1I.
What is the InChIKey of 3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol?
The InChIKey is WZNAPRPFUXHKNQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H18INO/c14-12-6-2-1-5-11(12)13-7-3-8-15(13)9-4-10-16/h1-2,5-6,13,16H,3-4,7-10H2/t13-/m0/s1.
What are the key properties of 3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol?
3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol has a molecular weight of 331.20 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-(2-iodophenyl)pyrrolidin-1-yl]propan-1-ol is sourced from PubChem (CID 95768844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).