1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one

C14H17NO3 — CID 62019351

IUPAC1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
SMILESCC(=O)c1ccccc1OCCN1CCCC1=O
InChIInChI=1S/C14H17NO3/c1-11(16)12-5-2-3-6-13(12)18-10-9-15-8-4-7-14(15)17/h2-3,5-6H,4,7-10H2,1H3
InChIKeyHVHRPSMCCWYQJK-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.89
Rot. Bonds5

About 1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one

1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one (PubChem CID 62019351) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
PubChem CID62019351
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
SMILESCC(=O)c1ccccc1OCCN1CCCC1=O
InChIInChI=1S/C14H17NO3/c1-11(16)12-5-2-3-6-13(12)18-10-9-15-8-4-7-14(15)17/h2-3,5-6H,4,7-10H2,1H3
InChIKeyHVHRPSMCCWYQJK-UHFFFAOYSA-N
XLogP1.89
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(2-acetylphenoxy)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-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one
CID 63102457
1-[2-[2-[(3aS,9aR)-4-methyl-3,3a,5,6,7,8,9,9a-octahydro-2H-pyrrolo[3,2-b]azocine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 110136351
1-[2-[2-[(2R)-4-acetyl-2-(2-methoxyphenyl)piperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 129458268
1-[2-[2-[3-(2-methoxyphenyl)-4-methylpiperazine-1-carbonyl]phenoxy]ethyl]pyrrolidin-2-one
CID 132779090
1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597
1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one
CID 66515853
1-[2-(2-methanehydrazonoylphenoxy)ethyl]pyrrolidin-2-one
CID 168530961
1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
CID 43253927
1-[2-[2-(3-aminopropyl)phenoxy]ethyl]pyrrolidin-2-one
CID 170879211
2-[[2-[2-(2-oxopyrrolidin-1-yl)ethoxy]phenyl]methylideneamino]guanidine
CID 168591840
1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one
CID 114509724
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one (CID 62019351) is 1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one is CC(=O)c1ccccc1OCCN1CCCC1=O.
What is the InChIKey of 1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one?
The InChIKey is HVHRPSMCCWYQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-11(16)12-5-2-3-6-13(12)18-10-9-15-8-4-7-14(15)17/h2-3,5-6H,4,7-10H2,1H3.
What are the key properties of 1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one?
1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 1.89, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 62019351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).