(2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone

C14H18INO2 — CID 113254113

IUPAC(2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2cc(I)ccc2O)C1
InChIInChI=1S/C14H18INO2/c1-9(2)10-5-6-16(8-10)14(18)12-7-11(15)3-4-13(12)17/h3-4,7,9-10,17H,5-6,8H2,1-2H3
InChIKeyINCAOZPFIFSNLI-UHFFFAOYSA-N
MW359.21 g/mol
LogP3.11
Rot. Bonds2

About (2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone

(2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone (PubChem CID 113254113) has the molecular formula C14H18INO2 and a molecular weight of 359.21 g/mol. Its IUPAC name is (2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
PubChem CID113254113
Molecular FormulaC14H18INO2
Molecular Weight359.21 g/mol
Exact Mass359.04
IUPAC Name(2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
SMILESCC(C)C1CCN(C(=O)c2cc(I)ccc2O)C1
InChIInChI=1S/C14H18INO2/c1-9(2)10-5-6-16(8-10)14(18)12-7-11(15)3-4-13(12)17/h3-4,7,9-10,17H,5-6,8H2,1-2H3
InChIKeyINCAOZPFIFSNLI-UHFFFAOYSA-N
XLogP3.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.21
LogP ≤ 53.11
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

[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732213
(2-hydroxy-5-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697873
[(3S)-3-aminopyrrolidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732190
(2-hydroxy-4-methoxyphenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone
CID 112697858
(5-bromo-2-hydroxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023690
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-hydroxy-5-iodophenyl)methanone
CID 113254875
[3-(bromomethyl)piperidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732597
(2-hydroxy-5-iodophenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 107732049
(4-amino-2-chlorophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone;hydrochloride
CID 119821044
(2-hydroxy-5-iodophenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 103600079
[4-(2-bromoethoxy)piperidin-1-yl]-(2-hydroxy-5-iodophenyl)methanone
CID 107732684
(2,5-dimethylpiperidin-1-yl)-(2-hydroxy-5-iodophenyl)methanone
CID 103524349

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The IUPAC name of (2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone (CID 113254113) is (2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The canonical SMILES for (2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone is CC(C)C1CCN(C(=O)c2cc(I)ccc2O)C1.
What is the InChIKey of (2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
The InChIKey is INCAOZPFIFSNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18INO2/c1-9(2)10-5-6-16(8-10)14(18)12-7-11(15)3-4-13(12)17/h3-4,7,9-10,17H,5-6,8H2,1-2H3.
What are the key properties of (2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone?
(2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone has a molecular weight of 359.21 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-iodophenyl)-(3-propan-2-ylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 113254113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).