(3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione

C12H12FNO2 — CID 98108371

IUPAC(3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)C[C@@H](c2cccc(F)c2)C1=O
InChIInChI=1S/C12H12FNO2/c1-2-14-11(15)7-10(12(14)16)8-4-3-5-9(13)6-8/h3-6,10H,2,7H2,1H3/t10-/m0/s1
InChIKeyZUWFBBIMPISIPM-JTQLQIEISA-N
MW221.23 g/mol
LogP1.69
Rot. Bonds2

About (3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione

(3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione (PubChem CID 98108371) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is (3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
PubChem CID98108371
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Name(3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione
SMILESCCN1C(=O)C[C@@H](c2cccc(F)c2)C1=O
InChIInChI=1S/C12H12FNO2/c1-2-14-11(15)7-10(12(14)16)8-4-3-5-9(13)6-8/h3-6,10H,2,7H2,1H3/t10-/m0/s1
InChIKeyZUWFBBIMPISIPM-JTQLQIEISA-N
XLogP1.69
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-(3-methoxyphenyl)pyrrolidine-2,5-dione
CID 177405211
(3R)-3-(3-fluorophenyl)-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 98176099
ethyl 1-ethyl-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854462
1-ethyl-3-(1-methylpyrrol-2-yl)pyrrolidine-2,5-dione
CID 45094834
1-ethyl-4-(3-fluorophenyl)piperidin-2-one
CID 139936201
1-benzyl-6-fluoro-4-phenyl-3,4-dihydroquinolin-2-one
CID 102583572
(3R)-1-benzyl-3-(3-chlorophenyl)pyrrolidine-2,5-dione
CID 53474672
ethyl (4R)-1-[2-(benzylamino)-2-oxoethyl]-4-(3-fluorophenyl)-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 7347805
3-[(2-bromo-5-fluorophenyl)methylamino]-1-ethylpyrrolidine-2,5-dione
CID 54902832
1-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]-3-(3-methylphenyl)pyrrolidine-2,5-dione
CID 46196479
(2R)-2-(3-fluorophenyl)cyclobutan-1-one
CID 129416002
propan-2-yl 4-(3-fluorophenyl)-1-[(2-fluorophenyl)methyl]-6-methyl-2-oxo-3,4-dihydropyridine-5-carboxylate
CID 42854819

Frequently Asked Questions

What is the IUPAC name of (3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione (CID 98108371) is (3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione is CCN1C(=O)C[C@@H](c2cccc(F)c2)C1=O.
What is the InChIKey of (3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione?
The InChIKey is ZUWFBBIMPISIPM-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12FNO2/c1-2-14-11(15)7-10(12(14)16)8-4-3-5-9(13)6-8/h3-6,10H,2,7H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione?
(3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione has a molecular weight of 221.23 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-ethyl-3-(3-fluorophenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 98108371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).