(5S)-5-benzoylpyrrolidine-2,4-dione

C11H9NO3 — CID 98552249

IUPAC(5S)-5-benzoylpyrrolidine-2,4-dione
SMILESO=C1CC(=O)[C@@H](C(=O)c2ccccc2)N1
InChIInChI=1S/C11H9NO3/c13-8-6-9(14)12-10(8)11(15)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,12,14)/t10-/m0/s1
InChIKeyMMKFPJYMUGITMB-JTQLQIEISA-N
MW203.20 g/mol
LogP0.33
Rot. Bonds2

About (5S)-5-benzoylpyrrolidine-2,4-dione

(5S)-5-benzoylpyrrolidine-2,4-dione (PubChem CID 98552249) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is (5S)-5-benzoylpyrrolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzoylpyrrolidine-2,4-dione
PubChem CID98552249
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name(5S)-5-benzoylpyrrolidine-2,4-dione
SMILESO=C1CC(=O)[C@@H](C(=O)c2ccccc2)N1
InChIInChI=1S/C11H9NO3/c13-8-6-9(14)12-10(8)11(15)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,12,14)/t10-/m0/s1
InChIKeyMMKFPJYMUGITMB-JTQLQIEISA-N
XLogP0.33
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-benzoylcyclopentane-1,3-dione
CID 15625879
[(1R,2R)-2-benzoylcyclopropyl]-phenylmethanone
CID 12564065
(4-benzoylcyclohexyl)-phenylmethanone
CID 24722598
(3S)-3-benzoylpiperazin-2-one
CID 29320826
azetidin-2-yl(phenyl)methanone
CID 84651225
2-(3,5-dioxopyrrolidin-2-yl)benzoic acid
CID 105473470
7-benzoylazepan-2-one
CID 70255305
3-benzoylpyrrolidine-2,5-dione
CID 15178182
3-benzoyl-3,4-dihydro-1H-quinolin-2-one
CID 154640290
2-benzoylcyclotridecan-1-one
CID 101422484
oxan-3-yl(phenyl)methanone
CID 63011351
trans-(1S,2S)-2-benzoylcyclopropane-1-carboxylic acid
CID 899673

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzoylpyrrolidine-2,4-dione?
The IUPAC name of (5S)-5-benzoylpyrrolidine-2,4-dione (CID 98552249) is (5S)-5-benzoylpyrrolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzoylpyrrolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzoylpyrrolidine-2,4-dione is O=C1CC(=O)[C@@H](C(=O)c2ccccc2)N1.
What is the InChIKey of (5S)-5-benzoylpyrrolidine-2,4-dione?
The InChIKey is MMKFPJYMUGITMB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H9NO3/c13-8-6-9(14)12-10(8)11(15)7-4-2-1-3-5-7/h1-5,10H,6H2,(H,12,14)/t10-/m0/s1.
What are the key properties of (5S)-5-benzoylpyrrolidine-2,4-dione?
(5S)-5-benzoylpyrrolidine-2,4-dione has a molecular weight of 203.20 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzoylpyrrolidine-2,4-dione is sourced from PubChem (CID 98552249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).