1-(4-acetylphenyl)pyrrolidine-2,3-dione

C12H11NO3 — CID 117013828

IUPAC1-(4-acetylphenyl)pyrrolidine-2,3-dione
SMILESCC(=O)c1ccc(N2CCC(=O)C2=O)cc1
InChIInChI=1S/C12H11NO3/c1-8(14)9-2-4-10(5-3-9)13-7-6-11(15)12(13)16/h2-5H,6-7H2,1H3
InChIKeyFNBORCPZBYRDDZ-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.20
Rot. Bonds2

About 1-(4-acetylphenyl)pyrrolidine-2,3-dione

1-(4-acetylphenyl)pyrrolidine-2,3-dione (PubChem CID 117013828) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-(4-acetylphenyl)pyrrolidine-2,3-dione.

Molecular Properties

Compound Name1-(4-acetylphenyl)pyrrolidine-2,3-dione
PubChem CID117013828
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-(4-acetylphenyl)pyrrolidine-2,3-dione
SMILESCC(=O)c1ccc(N2CCC(=O)C2=O)cc1
InChIInChI=1S/C12H11NO3/c1-8(14)9-2-4-10(5-3-9)13-7-6-11(15)12(13)16/h2-5H,6-7H2,1H3
InChIKeyFNBORCPZBYRDDZ-UHFFFAOYSA-N
XLogP1.20
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-(4-acetylphenyl)-3-oxopiperazine-1-carboxylic acid
CID 91178638
1-(4-acetylphenyl)-2,2-dimethylpiperidin-4-one
CID 117020066
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
1-(4-acetylphenyl)ethanone;methane
CID 159515104
1-[4-(triazol-2-yl)phenyl]ethanone
CID 10702736
(1S,2R,6R,7S)-4-(4-acetylphenyl)-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 99719477
1-[4-[4-(4-morpholin-4-ylphenyl)piperazin-1-yl]phenyl]ethanone
CID 20729332
(3R)-1-(4-acetylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 2376773
1-(4-chloro-3-methoxyphenyl)pyrrolidine-2,3-dione
CID 107622002
4-(4-acetylphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 3094949
ethane;1-(4-piperazin-1-ylphenyl)ethanone
CID 142085748
1-pyrimidin-5-ylpyrrolidine-2,3-dione
CID 107588849

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)pyrrolidine-2,3-dione?
The IUPAC name of 1-(4-acetylphenyl)pyrrolidine-2,3-dione (CID 117013828) is 1-(4-acetylphenyl)pyrrolidine-2,3-dione.
What is the SMILES notation for 1-(4-acetylphenyl)pyrrolidine-2,3-dione?
The canonical SMILES for 1-(4-acetylphenyl)pyrrolidine-2,3-dione is CC(=O)c1ccc(N2CCC(=O)C2=O)cc1.
What is the InChIKey of 1-(4-acetylphenyl)pyrrolidine-2,3-dione?
The InChIKey is FNBORCPZBYRDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-8(14)9-2-4-10(5-3-9)13-7-6-11(15)12(13)16/h2-5H,6-7H2,1H3.
What are the key properties of 1-(4-acetylphenyl)pyrrolidine-2,3-dione?
1-(4-acetylphenyl)pyrrolidine-2,3-dione has a molecular weight of 217.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)pyrrolidine-2,3-dione is sourced from PubChem (CID 117013828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).