1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one

C14H19NO2 — CID 82129078

IUPAC1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one
SMILESCc1ccc(C)c(OCCN2CCCC2=O)c1
InChIInChI=1S/C14H19NO2/c1-11-5-6-12(2)13(10-11)17-9-8-15-7-3-4-14(15)16/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeySUTLJQKOWORGKK-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.30
Rot. Bonds4

About 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one

1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one (PubChem CID 82129078) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one
PubChem CID82129078
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one
SMILESCc1ccc(C)c(OCCN2CCCC2=O)c1
InChIInChI=1S/C14H19NO2/c1-11-5-6-12(2)13(10-11)17-9-8-15-7-3-4-14(15)16/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeySUTLJQKOWORGKK-UHFFFAOYSA-N
XLogP2.30
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[(4-methyl-2-pyridinyl)oxy]ethyl]pyrrolidin-2-one
CID 123323957
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94686427
1-[3-(4-chloro-2-methylphenoxy)propyl]pyrrolidin-2-one
CID 94695701
1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
CID 82129052
1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
CID 62019351
1-[4-(2,5-dimethylphenoxy)butyl]aziridine
CID 125464507
2-[2-(2,5-dimethylphenoxy)ethyl]-5-methylpyridazin-3-one
CID 154754926
1-[2-(2,5-dimethylphenoxy)ethyl]-2,5-dimethylpyrrole
CID 82085211
methyl 3-(2,4-dimethylbenzoyl)-7-oxo-9-[2-(2-oxopyrrolidin-1-yl)ethoxy]-1,2,4,5-tetrahydropyrido[1,2-d][1,4]diazepine-10-carboxylate
CID 42439992
2-[4-[2-(2,5-dimethylphenoxy)ethyl]piperazin-1-yl]acetic acid
CID 43521786
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidine-3,4-diol
CID 106672249
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one (CID 82129078) is 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one is Cc1ccc(C)c(OCCN2CCCC2=O)c1.
What is the InChIKey of 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one?
The InChIKey is SUTLJQKOWORGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-5-6-12(2)13(10-11)17-9-8-15-7-3-4-14(15)16/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one?
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 82129078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).