1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one

C15H19NO3 — CID 63102457

IUPAC1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one
SMILESCC(=O)c1ccccc1OCCN1CC(C)CC1=O
InChIInChI=1S/C15H19NO3/c1-11-9-15(18)16(10-11)7-8-19-14-6-4-3-5-13(14)12(2)17/h3-6,11H,7-10H2,1-2H3
InChIKeyKCURAWIABXEDPB-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.14
Rot. Bonds5

About 1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one

1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one (PubChem CID 63102457) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one
PubChem CID63102457
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one
SMILESCC(=O)c1ccccc1OCCN1CC(C)CC1=O
InChIInChI=1S/C15H19NO3/c1-11-9-15(18)16(10-11)7-8-19-14-6-4-3-5-13(14)12(2)17/h3-6,11H,7-10H2,1-2H3
InChIKeyKCURAWIABXEDPB-UHFFFAOYSA-N
XLogP2.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(aminomethyl)phenoxy]ethyl]-4-methylpyrrolidin-2-one
CID 63103704
1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
CID 62019351
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
CID 65250241
1-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]ethanone
CID 7380447
1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone
CID 104976918
2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116683751
1-[2-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2996173
1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride
CID 2992912
1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one
CID 114509724
1-[2-(4-bromophenoxy)ethyl]-4-methylpyrrolidin-2-one
CID 63101038
1-[2-[6-(aziridin-1-yl)hexoxy]phenyl]ethanone
CID 167050597
4-amino-1-[2-(2-methoxyphenoxy)ethyl]pyrrolidin-2-one
CID 168699576

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one?
The IUPAC name of 1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one (CID 63102457) is 1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one is CC(=O)c1ccccc1OCCN1CC(C)CC1=O.
What is the InChIKey of 1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one?
The InChIKey is KCURAWIABXEDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-11-9-15(18)16(10-11)7-8-19-14-6-4-3-5-13(14)12(2)17/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one?
1-[2-(2-acetylphenoxy)ethyl]-4-methylpyrrolidin-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.14, 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]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 63102457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).