(2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone

C13H16INO2 — CID 167803355

IUPAC(2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone
SMILESCC1CCN(C(=O)c2c(O)cccc2I)C1C
InChIInChI=1S/C13H16INO2/c1-8-6-7-15(9(8)2)13(17)12-10(14)4-3-5-11(12)16/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyGNXCRIZIYVWDRL-UHFFFAOYSA-N
MW345.18 g/mol
LogP2.87
Rot. Bonds1

About (2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone

(2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone (PubChem CID 167803355) has the molecular formula C13H16INO2 and a molecular weight of 345.18 g/mol. Its IUPAC name is (2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone.

Molecular Properties

Compound Name(2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone
PubChem CID167803355
Molecular FormulaC13H16INO2
Molecular Weight345.18 g/mol
Exact Mass345.02
IUPAC Name(2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone
SMILESCC1CCN(C(=O)c2c(O)cccc2I)C1C
InChIInChI=1S/C13H16INO2/c1-8-6-7-15(9(8)2)13(17)12-10(14)4-3-5-11(12)16/h3-5,8-9,16H,6-7H2,1-2H3
InChIKeyGNXCRIZIYVWDRL-UHFFFAOYSA-N
XLogP2.87
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.87
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

(2,6-dihydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107689677
(2-fluoro-6-hydroxyphenyl)-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 103274732
(5-bromothiophen-2-yl)-(2,3-dimethylpyrrolidin-1-yl)methanone
CID 127431518
(2,3-dimethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 62122713
(2,6-dihydroxyphenyl)-[(2S)-2-methylpiperazin-1-yl]methanone
CID 107690427
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,6-difluorophenyl)methanone
CID 102783511
(2-fluoro-6-hydroxyphenyl)-[(2S,4S)-4-(hydroxymethyl)-2-methylpiperidin-1-yl]methanone
CID 154800839
(2,6-dihydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 107689544
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl-(2,6-dihydroxyphenyl)methanone
CID 107690450
(3-chloro-4-methylpiperidin-1-yl)-(2-iodophenyl)methanone
CID 102961362
5-(2,3-dimethylpiperidine-1-carbonyl)thiophene-2-carboxylic acid
CID 62122760
[4-(1-bromoethyl)piperidin-1-yl]-(2,6-dihydroxyphenyl)methanone
CID 107691311

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone?
The IUPAC name of (2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone (CID 167803355) is (2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone.
What is the SMILES notation for (2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone?
The canonical SMILES for (2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone is CC1CCN(C(=O)c2c(O)cccc2I)C1C.
What is the InChIKey of (2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone?
The InChIKey is GNXCRIZIYVWDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO2/c1-8-6-7-15(9(8)2)13(17)12-10(14)4-3-5-11(12)16/h3-5,8-9,16H,6-7H2,1-2H3.
What are the key properties of (2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone?
(2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone has a molecular weight of 345.18 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylpyrrolidin-1-yl)-(2-hydroxy-6-iodophenyl)methanone is sourced from PubChem (CID 167803355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).