3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione

C15H14FN3O3 — CID 164919999

IUPAC3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(F)(N2Cc3c(ccc4c3CNC4)C2=O)C(=O)N1
InChIInChI=1S/C15H14FN3O3/c16-15(4-3-12(20)18-14(15)22)19-7-11-9(13(19)21)2-1-8-5-17-6-10(8)11/h1-2,17H,3-7H2,(H,18,20,22)
InChIKeyNMCYVSQJXCYCMG-UHFFFAOYSA-N
MW303.29 g/mol
LogP0.35
Rot. Bonds1

About 3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione

3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione (PubChem CID 164919999) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione
PubChem CID164919999
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(F)(N2Cc3c(ccc4c3CNC4)C2=O)C(=O)N1
InChIInChI=1S/C15H14FN3O3/c16-15(4-3-12(20)18-14(15)22)19-7-11-9(13(19)21)2-1-8-5-17-6-10(8)11/h1-2,17H,3-7H2,(H,18,20,22)
InChIKeyNMCYVSQJXCYCMG-UHFFFAOYSA-N
XLogP0.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione
CID 164919881
ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163268043
3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione
CID 166507159
spiro[4,5,8,9,10,11-hexahydro-2H-pyrido[3,4-i][2]benzazepine-3,3'-piperidine]-1,2',6'-trione
CID 164920294
(3S)-3-fluoro-3-(4-hydroxy-3H-thieno[3,4-d][1,2]oxazol-2-yl)piperidine-2,6-dione
CID 141156648
(3R)-3-(4-amino-3H-thieno[3,4-d][1,2]oxazol-2-yl)-3-fluoropiperidine-2,6-dione
CID 141156542
methanamine;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 91016325
CID 174071294
CID 174071294
3-(4-aminobutyl)-3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;hydrochloride
CID 67997669
(3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione
CID 66751776
ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
(3R)-3-(3-amino-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl)-3-ethylpiperidine-2,6-dione
CID 68605728

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione (CID 164919999) is 3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione is O=C1CCC(F)(N2Cc3c(ccc4c3CNC4)C2=O)C(=O)N1.
What is the InChIKey of 3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is NMCYVSQJXCYCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-15(4-3-12(20)18-14(15)22)19-7-11-9(13(19)21)2-1-8-5-17-6-10(8)11/h1-2,17H,3-7H2,(H,18,20,22).
What are the key properties of 3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione?
3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 303.29 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 164919999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).