6-fluoro-1',4-dimethylspiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione

C13H13FN2O2 — CID 169003761

IUPAC6-fluoro-1',4-dimethylspiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione
SMILESCc1cc(F)cc2c1C1(CCN(C)C1=O)NC2=O
InChIInChI=1S/C13H13FN2O2/c1-7-5-8(14)6-9-10(7)13(15-11(9)17)3-4-16(2)12(13)18/h5-6H,3-4H2,1-2H3,(H,15,17)
InChIKeyKNNBZLRYUIWLPP-UHFFFAOYSA-N
MW248.26 g/mol
LogP0.93
Rot. Bonds

About 6-fluoro-1',4-dimethylspiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione

6-fluoro-1',4-dimethylspiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione (PubChem CID 169003761) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 6-fluoro-1',4-dimethylspiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione.

Molecular Properties

Compound Name6-fluoro-1',4-dimethylspiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione
PubChem CID169003761
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name6-fluoro-1',4-dimethylspiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione
SMILESCc1cc(F)cc2c1C1(CCN(C)C1=O)NC2=O
InChIInChI=1S/C13H13FN2O2/c1-7-5-8(14)6-9-10(7)13(15-11(9)17)3-4-16(2)12(13)18/h5-6H,3-4H2,1-2H3,(H,15,17)
InChIKeyKNNBZLRYUIWLPP-UHFFFAOYSA-N
XLogP0.93
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-2-[(5-amino-6-fluoro-1H-pyrrolo[3,2-b]pyridin-2-yl)methyl]-6-fluoro-1',4-dimethylspiro[isoindole-3,3'-pyrrolidine]-1,2'-dione
CID 167507131
1'-but-2-ynyl-6-fluorospiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione
CID 175995912
(3S)-3-(3-chloro-5-fluorophenyl)-3-hydroxy-1-methylpyrrolidin-2-one
CID 170327098
5-fluoro-7-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2,3-dione
CID 106893809
(2S,5R)-2-[3-(3,5-difluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 90016940
1'-[(2,3-difluorophenyl)methyl]-6-methylspiro[1,3-dihydroquinazoline-2,4'-piperidine]-4-one
CID 46077929
(2R,5S)-2-[3-(3-fluorophenyl)phenyl]-7-methyl-1,7-diazaspiro[4.4]nonan-6-one
CID 154061804
2-ethyl-6-methyl-2,6-diazaspiro[3.4]octan-5-one
CID 145349631
2-(1-ethylcyclopropyl)-1,5-difluoro-3-methylbenzene
CID 176962607
1-(2-bromoethyl)-5-fluoro-7-methylindole-2,3-dione
CID 106893506
5-fluoro-1-(2-hydroxyethyl)-7-methylindole-2,3-dione
CID 106893656
1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629447

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1',4-dimethylspiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione?
The IUPAC name of 6-fluoro-1',4-dimethylspiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione (CID 169003761) is 6-fluoro-1',4-dimethylspiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione.
What is the SMILES notation for 6-fluoro-1',4-dimethylspiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione?
The canonical SMILES for 6-fluoro-1',4-dimethylspiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione is Cc1cc(F)cc2c1C1(CCN(C)C1=O)NC2=O.
What is the InChIKey of 6-fluoro-1',4-dimethylspiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione?
The InChIKey is KNNBZLRYUIWLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-7-5-8(14)6-9-10(7)13(15-11(9)17)3-4-16(2)12(13)18/h5-6H,3-4H2,1-2H3,(H,15,17).
What are the key properties of 6-fluoro-1',4-dimethylspiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione?
6-fluoro-1',4-dimethylspiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione has a molecular weight of 248.26 g/mol, XLogP of 0.93, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1',4-dimethylspiro[2H-isoindole-3,3'-pyrrolidine]-1,2'-dione is sourced from PubChem (CID 169003761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).