2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone

C15H21NO2 — CID 116572657

IUPAC2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)C1CNCC1C
InChIInChI=1S/C15H21NO2/c1-10-4-5-15(18-3)12(6-10)7-14(17)13-9-16-8-11(13)2/h4-6,11,13,16H,7-9H2,1-3H3
InChIKeyGYRIVOOUQRFXIK-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.97
Rot. Bonds4

About 2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone

2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone (PubChem CID 116572657) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
PubChem CID116572657
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
SMILESCOc1ccc(C)cc1CC(=O)C1CNCC1C
InChIInChI=1S/C15H21NO2/c1-10-4-5-15(18-3)12(6-10)7-14(17)13-9-16-8-11(13)2/h4-6,11,13,16H,7-9H2,1-3H3
InChIKeyGYRIVOOUQRFXIK-UHFFFAOYSA-N
XLogP1.97
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclooctyl-2-(2-methoxy-5-methylphenyl)ethanone
CID 80601651
2-(2-methoxy-5-methylphenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402780
2-(2-methoxy-5-methylphenyl)-1-(4-methoxypyrrolidin-2-yl)ethanone
CID 116560715
1-(4,4-dimethylcyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 65391197
2-(2-methoxy-5-methylphenyl)-1-(3-methyl-1,4-dithian-2-yl)ethanone
CID 115385766
1-(2,3-dihydro-1H-indol-3-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 116594701
trans-(1S,2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methylcyclopropane-1-carboxamide
CID 33033808
1-(1,4-diazabicyclo[2.2.2]octan-2-yl)-2-(2-methoxy-5-methylphenyl)ethanone
CID 79968379
2-(2-methoxy-5-methylphenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114965714
2-(4-fluorophenyl)-1-(4-methylpyrrolidin-3-yl)ethanone
CID 116572487
(3,4-dimethoxyphenyl)-(4-methylpyrrolidin-3-yl)methanone
CID 116572555
N'-[2-(2-methoxy-5-methylphenyl)acetyl]cyclohexanecarbohydrazide
CID 9327312

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone (CID 116572657) is 2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone is COc1ccc(C)cc1CC(=O)C1CNCC1C.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone?
The InChIKey is GYRIVOOUQRFXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-4-5-15(18-3)12(6-10)7-14(17)13-9-16-8-11(13)2/h4-6,11,13,16H,7-9H2,1-3H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone?
2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-1-(4-methylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 116572657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).