1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one

C12H15NO2 — CID 117014191

IUPAC1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one
SMILESCc1cccc(C)c1N1CCC(O)C1=O
InChIInChI=1S/C12H15NO2/c1-8-4-3-5-9(2)11(8)13-7-6-10(14)12(13)15/h3-5,10,14H,6-7H2,1-2H3
InChIKeyXKLKZHCZWWMGBK-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.40
Rot. Bonds1

About 1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one

1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one (PubChem CID 117014191) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one
PubChem CID117014191
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one
SMILESCc1cccc(C)c1N1CCC(O)C1=O
InChIInChI=1S/C12H15NO2/c1-8-4-3-5-9(2)11(8)13-7-6-10(14)12(13)15/h3-5,10,14H,6-7H2,1-2H3
InChIKeyXKLKZHCZWWMGBK-UHFFFAOYSA-N
XLogP1.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethyl-6-methylphenyl)-3-hydroxypiperidin-2-one
CID 117014103
1-(2,6-dimethylphenyl)-4-hydroxypiperidin-2-one
CID 117014001
[1-(2,6-dimethylphenyl)-2-oxopyrrolidin-3-yl]-trimethylazanium
CID 155692435
3-(2,6-dimethylphenyl)-6-(hydroxymethyl)-1,3-oxazinan-2-one
CID 117011618
1-(2-chloro-4,6-dimethylphenyl)-3-hydroxypiperidin-2-one
CID 117014121
4-(2,6-dimethylphenyl)-2-(2-hydroxyethyl)morpholin-3-one
CID 117008392
(3S)-1-(4-bromophenyl)-3-hydroxypyrrolidin-2-one
CID 122515775
1-ethylsulfonyl-8-methyl-3,4-dihydro-2H-quinolin-4-ol
CID 110637012
1-(2,6-dimethylphenyl)-3-(1-ethylpyrrolidin-1-ium-1-yl)piperidin-2-one;yttrium
CID 158665564
3-tert-butyl-1-(2-chloro-6-methylphenyl)-1,4-diazepane-2,5-dione
CID 66256071
(3S)-1-(2,6-dimethylphenyl)-N-[2-(4-methoxyphenyl)ethyl]-2-oxopyrrolidine-3-carboxamide
CID 93331104
1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4739040

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one (CID 117014191) is 1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one is Cc1cccc(C)c1N1CCC(O)C1=O.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one?
The InChIKey is XKLKZHCZWWMGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-4-3-5-9(2)11(8)13-7-6-10(14)12(13)15/h3-5,10,14H,6-7H2,1-2H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one?
1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one has a molecular weight of 205.26 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-hydroxypyrrolidin-2-one is sourced from PubChem (CID 117014191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).