2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone

C12H14INO2 — CID 62941898

IUPAC2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
SMILESO=C(CN1CCC(O)C1)c1ccc(I)cc1
InChIInChI=1S/C12H14INO2/c13-10-3-1-9(2-4-10)12(16)8-14-6-5-11(15)7-14/h1-4,11,15H,5-8H2
InChIKeyBVBWOKCLNJKTIA-UHFFFAOYSA-N
MW331.15 g/mol
LogP1.54
Rot. Bonds3

About 2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone

2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone (PubChem CID 62941898) has the molecular formula C12H14INO2 and a molecular weight of 331.15 g/mol. Its IUPAC name is 2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
PubChem CID62941898
Molecular FormulaC12H14INO2
Molecular Weight331.15 g/mol
Exact Mass331.01
IUPAC Name2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
SMILESO=C(CN1CCC(O)C1)c1ccc(I)cc1
InChIInChI=1S/C12H14INO2/c13-10-3-1-9(2-4-10)12(16)8-14-6-5-11(15)7-14/h1-4,11,15H,5-8H2
InChIKeyBVBWOKCLNJKTIA-UHFFFAOYSA-N
XLogP1.54
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-hydroxy-4-methylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 102960303
2-[3-(aminomethyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 62063801
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 112626508
2-(4-ethylpiperidin-1-yl)-1-(4-iodophenyl)ethanone
CID 61421640
2-(3,4-dimethylpyrrolidin-1-yl)-1-(4-iodophenyl)ethanone
CID 79188459
1-(4-hydroxyphenyl)-2-(4-hydroxypiperidin-1-yl)ethanone
CID 60680512
1-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62943961
2-(3-hydroxypiperidin-1-yl)-1-(4-propylphenyl)ethanone
CID 62035423
1-(2,6-difluorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55130596
1-(2-chlorophenyl)-2-(3-hydroxypyrrolidin-1-yl)ethanone
CID 62941529
2-(3-hydroxypyrrolidin-1-yl)-N-(2,4,6-triiodophenyl)acetamide
CID 63468164
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-pyridin-2-ylethanone
CID 71649464

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone (CID 62941898) is 2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone is O=C(CN1CCC(O)C1)c1ccc(I)cc1.
What is the InChIKey of 2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone?
The InChIKey is BVBWOKCLNJKTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO2/c13-10-3-1-9(2-4-10)12(16)8-14-6-5-11(15)7-14/h1-4,11,15H,5-8H2.
What are the key properties of 2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone?
2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone has a molecular weight of 331.15 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypyrrolidin-1-yl)-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 62941898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).