(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

C13H17NO2 — CID 66291160

IUPAC(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C13H17NO2/c1-9-3-4-10(2)12(7-9)13(16)14-6-5-11(15)8-14/h3-4,7,11,15H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyQXZCRBQXTFBZAN-LLVKDONJSA-N
MW219.28 g/mol
LogP1.51
Rot. Bonds1

About (2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone

(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (PubChem CID 66291160) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
PubChem CID66291160
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
SMILESCc1ccc(C)c(C(=O)N2CC[C@@H](O)C2)c1
InChIInChI=1S/C13H17NO2/c1-9-3-4-10(2)12(7-9)13(16)14-6-5-11(15)8-14/h3-4,7,11,15H,5-6,8H2,1-2H3/t11-/m1/s1
InChIKeyQXZCRBQXTFBZAN-LLVKDONJSA-N
XLogP1.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-hydroxypyrrolidin-1-yl)-(2-methyl-5-methylsulfonylphenyl)methanone
CID 62918281
(2,5-dimethylphenyl)-[(3S)-3-methoxypyrrolidin-1-yl]methanone
CID 166697905
(2,5-dimethylphenyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 62370766
(4-chloro-3-methylpiperidin-1-yl)-(2,5-dimethylphenyl)methanone
CID 114683079
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 114960355
(2,6-dimethylquinolin-3-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561139
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 133119917
(2,5-dimethylphenyl)-(4-hydroxy-3,3-dimethylpiperidin-1-yl)methanone
CID 115276502
(4-hydroxy-2-methylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 103863834
1-(2,5-dimethylbenzoyl)piperidine-4-carbonitrile
CID 49064705
(4-chloro-2-methylphenyl)-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 103781423
methyl 1-(2,5-dimethylbenzoyl)piperidine-4-carboxylate
CID 43404824

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone (CID 66291160) is (2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is Cc1ccc(C)c(C(=O)N2CC[C@@H](O)C2)c1.
What is the InChIKey of (2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is QXZCRBQXTFBZAN-LLVKDONJSA-N. The full InChI is InChI=1S/C13H17NO2/c1-9-3-4-10(2)12(7-9)13(16)14-6-5-11(15)8-14/h3-4,7,11,15H,5-6,8H2,1-2H3/t11-/m1/s1.
What are the key properties of (2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone?
(2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 219.28 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 66291160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).