1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one

C14H19NO2 — CID 168702642

IUPAC1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
SMILESCc1ccc(CCN2CC(O)CC2=O)c(C)c1
InChIInChI=1S/C14H19NO2/c1-10-3-4-12(11(2)7-10)5-6-15-9-13(16)8-14(15)17/h3-4,7,13,16H,5-6,8-9H2,1-2H3
InChIKeySXBSTMPDWCKVCJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.44
Rot. Bonds3

About 1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one

1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one (PubChem CID 168702642) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
PubChem CID168702642
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
SMILESCc1ccc(CCN2CC(O)CC2=O)c(C)c1
InChIInChI=1S/C14H19NO2/c1-10-3-4-12(11(2)7-10)5-6-15-9-13(16)8-14(15)17/h3-4,7,13,16H,5-6,8-9H2,1-2H3
InChIKeySXBSTMPDWCKVCJ-UHFFFAOYSA-N
XLogP1.44
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681596
S-[[1-[2-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667271
1-[(2,5-dimethylphenyl)methyl]-4-hydroxypyrrolidin-2-one
CID 168702646
1-[2-(2,4-dimethylphenyl)ethyl]piperidine-2,6-dione
CID 82130524
1-[2-(4-tert-butylphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168701836
4-hydroxy-1-[2-(4-hydroxy-3,5-dimethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168702349
4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
CID 82159582
1-[2-(4-ethoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702055
1-[2-(3-bromo-4-methoxyphenyl)ethyl]-4-hydroxypyrrolidin-2-one
CID 168702309
4-hydroxy-1-[2-(1H-pyrazol-5-yl)ethyl]pyrrolidin-2-one
CID 168702984
1-[[cyclopropyl(methyl)amino]methyl]-4-hydroxypyrrolidin-2-one
CID 126986122
4-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-one
CID 106408264

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one (CID 168702642) is 1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one is Cc1ccc(CCN2CC(O)CC2=O)c(C)c1.
What is the InChIKey of 1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one?
The InChIKey is SXBSTMPDWCKVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-3-4-12(11(2)7-10)5-6-15-9-13(16)8-14(15)17/h3-4,7,13,16H,5-6,8-9H2,1-2H3.
What are the key properties of 1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one?
1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dimethylphenyl)ethyl]-4-hydroxypyrrolidin-2-one is sourced from PubChem (CID 168702642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).