1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one

C13H17NO3 — CID 94686427

IUPAC1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
SMILESCOc1cccc(OCCN2CCCC2=O)c1
InChIInChI=1S/C13H17NO3/c1-16-11-4-2-5-12(10-11)17-9-8-14-7-3-6-13(14)15/h2,4-5,10H,3,6-9H2,1H3
InChIKeyITOIJGDQKXIMTR-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.70
Rot. Bonds5

About 1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one

1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one (PubChem CID 94686427) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
PubChem CID94686427
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one
SMILESCOc1cccc(OCCN2CCCC2=O)c1
InChIInChI=1S/C13H17NO3/c1-16-11-4-2-5-12(10-11)17-9-8-14-7-3-6-13(14)15/h2,4-5,10H,3,6-9H2,1H3
InChIKeyITOIJGDQKXIMTR-UHFFFAOYSA-N
XLogP1.70
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(3-methoxyphenoxy)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-(3-aminophenoxy)ethyl]piperidin-2-one
CID 43365814
1-(2-naphthalen-2-yloxyethyl)pyrrolidin-2-one
CID 82132102
1-[3-(3-tert-butylphenoxy)propyl]pyrrolidin-2-one
CID 59174585
1-[2-(4-phenoxyphenoxy)ethyl]pyrrolidin-2-one
CID 94711360
1-[3-(3-aminophenoxy)propyl]pyrrolidin-2-one
CID 43365688
1-(2-phenoxyethyl)azepan-2-one
CID 10513813
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)ethyl]pyrrolidin-2-one
CID 82132664
1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111792626
3-[2-(2-oxoazocan-1-yl)ethoxy]benzonitrile
CID 43289123
1-[2-(3-methoxy-4-nitrophenoxy)ethyl]pyrrolidin-2-one
CID 58748572
N-(1-methylcyclobutyl)-3-[2-(2-oxopyrrolidin-1-yl)ethoxy]benzamide
CID 46969344
2-(2-methoxyethyl)-9-[2-(3-methoxyphenoxy)ethyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70717871

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one (CID 94686427) is 1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one is COc1cccc(OCCN2CCCC2=O)c1.
What is the InChIKey of 1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one?
The InChIKey is ITOIJGDQKXIMTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-11-4-2-5-12(10-11)17-9-8-14-7-3-6-13(14)15/h2,4-5,10H,3,6-9H2,1H3.
What are the key properties of 1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one?
1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one has a molecular weight of 235.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 94686427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).