2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone

C15H20INO2 — CID 62467950

IUPAC2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
SMILESO=C(CN1CCCC1CCCO)c1ccc(I)cc1
InChIInChI=1S/C15H20INO2/c16-13-7-5-12(6-8-13)15(19)11-17-9-1-3-14(17)4-2-10-18/h5-8,14,18H,1-4,9-11H2
InChIKeyORVPYWZUSUAILC-UHFFFAOYSA-N
MW373.23 g/mol
LogP2.71
Rot. Bonds6

About 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone

2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone (PubChem CID 62467950) has the molecular formula C15H20INO2 and a molecular weight of 373.23 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
PubChem CID62467950
Molecular FormulaC15H20INO2
Molecular Weight373.23 g/mol
Exact Mass373.05
IUPAC Name2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
SMILESO=C(CN1CCCC1CCCO)c1ccc(I)cc1
InChIInChI=1S/C15H20INO2/c16-13-7-5-12(6-8-13)15(19)11-17-9-1-3-14(17)4-2-10-18/h5-8,14,18H,1-4,9-11H2
InChIKeyORVPYWZUSUAILC-UHFFFAOYSA-N
XLogP2.71
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 52.71
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

1-(3,4-difluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 62466886
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone
CID 62889137
1-(4-aminophenyl)-2-[2-(2-hydroxyethyl)piperidin-1-yl]ethanone
CID 82256579
1-(3,4-dimethylphenyl)-2-[2-(2-hydroxyethyl)pyrrolidin-1-yl]ethanone
CID 112748138
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(2-methylphenyl)ethanone
CID 55075882
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(3-iodophenyl)acetamide
CID 62467819
1-(4-iodophenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228407
2-[2-(hydroxymethyl)pyrrolidin-1-yl]-1-(4-methylphenyl)ethanone
CID 62036905
4-[[2-(3-hydroxypropyl)pyrrolidin-1-yl]methyl]-N,N-dimethylbenzamide
CID 111434906
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 62468314
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-methyl-N-phenylacetamide
CID 62467967
1-(4-chlorophenyl)-2-[2-(hydroxymethyl)piperidin-1-yl]ethanone
CID 62035218

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone?
The IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone (CID 62467950) is 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone?
The canonical SMILES for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone is O=C(CN1CCCC1CCCO)c1ccc(I)cc1.
What is the InChIKey of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone?
The InChIKey is ORVPYWZUSUAILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20INO2/c16-13-7-5-12(6-8-13)15(19)11-17-9-1-3-14(17)4-2-10-18/h5-8,14,18H,1-4,9-11H2.
What are the key properties of 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone?
2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone has a molecular weight of 373.23 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-1-(4-iodophenyl)ethanone is sourced from PubChem (CID 62467950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).