5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one

C13H15NO3 — CID 117051927

IUPAC5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one
SMILESCC(=O)c1cccc(OCC2CCC(=O)N2)c1
InChIInChI=1S/C13H15NO3/c1-9(15)10-3-2-4-12(7-10)17-8-11-5-6-13(16)14-11/h2-4,7,11H,5-6,8H2,1H3,(H,14,16)
InChIKeyKMURDQYQJVMYAO-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.55
Rot. Bonds4

About 5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one

5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one (PubChem CID 117051927) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one
PubChem CID117051927
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one
SMILESCC(=O)c1cccc(OCC2CCC(=O)N2)c1
InChIInChI=1S/C13H15NO3/c1-9(15)10-3-2-4-12(7-10)17-8-11-5-6-13(16)14-11/h2-4,7,11H,5-6,8H2,1H3,(H,14,16)
InChIKeyKMURDQYQJVMYAO-UHFFFAOYSA-N
XLogP1.55
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone
CID 74415705
methyl 3-[[(2S)-pyrrolidin-2-yl]methoxy]benzoate
CID 162750790
5-[[4-(aminomethyl)phenoxy]methyl]pyrrolidin-2-one
CID 107530711
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382
1-[3-(4-methoxybutoxy)phenyl]ethanone
CID 57239152
1-[3-[[hydroxy(dimethyl)-λ4-sulfanyl]methoxy]phenyl]ethanone
CID 144853014
2-(3-acetylphenoxy)-1-cyclohexylethanone
CID 115582273
5-[(3-fluoro-5-methylphenoxy)methyl]pyrrolidin-2-one
CID 143178317
1-[3-(1-oxaspiro[4.5]decan-2-ylmethoxy)phenyl]ethanone
CID 102846916
1-[3-(3-chloropropoxy)phenyl]ethanone
CID 14348752
2-(3-acetylphenoxy)-N-cyclohexylacetamide
CID 2708999

Frequently Asked Questions

What is the IUPAC name of 5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one (CID 117051927) is 5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one is CC(=O)c1cccc(OCC2CCC(=O)N2)c1.
What is the InChIKey of 5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one?
The InChIKey is KMURDQYQJVMYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(15)10-3-2-4-12(7-10)17-8-11-5-6-13(16)14-11/h2-4,7,11H,5-6,8H2,1H3,(H,14,16).
What are the key properties of 5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one?
5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one has a molecular weight of 233.27 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one is sourced from PubChem (CID 117051927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).