3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one

C15H21NO2 — CID 103358415

IUPAC3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)CCN2CCC(C)(O)C2)c1
InChIInChI=1S/C15H21NO2/c1-12-4-3-5-13(10-12)14(17)6-8-16-9-7-15(2,18)11-16/h3-5,10,18H,6-9,11H2,1-2H3
InChIKeyJAYUFSVSVBJHCK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.02
Rot. Bonds4

About 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one

3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one (PubChem CID 103358415) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one
PubChem CID103358415
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one
SMILESCc1cccc(C(=O)CCN2CCC(C)(O)C2)c1
InChIInChI=1S/C15H21NO2/c1-12-4-3-5-13(10-12)14(17)6-8-16-9-7-15(2,18)11-16/h3-5,10,18H,6-9,11H2,1-2H3
InChIKeyJAYUFSVSVBJHCK-UHFFFAOYSA-N
XLogP2.02
TPSA40.54 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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxy-4-methylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 81103969
3-(4-hydroxy-4-methylazepan-1-yl)-1-(3-methylphenyl)propan-1-one
CID 107408651
3-(4,4-dimethylpiperidin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 55156322
1-(3-methylphenyl)-3-morpholin-4-ylpropan-1-one
CID 10198554
1-(3-bromophenyl)-3-(4,4-dimethylpiperidin-1-yl)propan-1-one
CID 62931132
3-(4-benzhydrylpiperazin-1-yl)-1-(3-methylphenyl)propan-1-one
CID 15645947
3-[4-(1-hydroxyethyl)piperidin-1-yl]-1-(3-methylphenyl)propan-1-one
CID 106837729
3-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-(3-methylphenyl)propan-1-one
CID 63151310
N-(3-carbamothioylphenyl)-3-(3-hydroxy-3-methylpyrrolidin-1-yl)propanamide
CID 103356209
4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
CID 81103900
1-(3-methylphenyl)butan-1-one
CID 4304992
1-(3-methylphenyl)-3-(2-methylpiperidin-1-yl)propan-1-one
CID 62629678

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one?
The IUPAC name of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one (CID 103358415) is 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one?
The canonical SMILES for 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one is Cc1cccc(C(=O)CCN2CCC(C)(O)C2)c1.
What is the InChIKey of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one?
The InChIKey is JAYUFSVSVBJHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12-4-3-5-13(10-12)14(17)6-8-16-9-7-15(2,18)11-16/h3-5,10,18H,6-9,11H2,1-2H3.
What are the key properties of 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one?
3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-3-methylpyrrolidin-1-yl)-1-(3-methylphenyl)propan-1-one is sourced from PubChem (CID 103358415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).