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

C16H17N3O3 — CID 164919881

IUPAC3-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione
SMILESCC1(N2Cc3c(ccc4c3CNC4)C2=O)CCC(=O)NC1=O
InChIInChI=1S/C16H17N3O3/c1-16(5-4-13(20)18-15(16)22)19-8-12-10(14(19)21)3-2-9-6-17-7-11(9)12/h2-3,17H,4-8H2,1H3,(H,18,20,22)
InChIKeyVUOVAHAUSZVLSC-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.44
Rot. Bonds1

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

3-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione (PubChem CID 164919881) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione
PubChem CID164919881
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione
SMILESCC1(N2Cc3c(ccc4c3CNC4)C2=O)CCC(=O)NC1=O
InChIInChI=1S/C16H17N3O3/c1-16(5-4-13(20)18-15(16)22)19-8-12-10(14(19)21)3-2-9-6-17-7-11(9)12/h2-3,17H,4-8H2,1H3,(H,18,20,22)
InChIKeyVUOVAHAUSZVLSC-UHFFFAOYSA-N
XLogP0.44
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione
CID 164919999
3-(7-methoxy-3-oxo-1H-isoindol-2-yl)-3-methylpiperidine-2,6-dione
CID 166507159
ethane;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163268043
methanamine;3-methyl-3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 91016325
(3R)-3-[3-(dimethylamino)-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]-3-methylpiperidine-2,6-dione
CID 66751776
(3R)-3-methyl-3-[6-(1-methyl-5-phenylimidazol-4-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075862
ethane;2-(3-methyl-2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 163267686
2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-3-oxo-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]-1H-isoindole-5-carboxamide
CID 67023255
1-[3-[[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxy]propyl]-4-[2-(trifluoromethoxy)phenyl]piperidine-4-carbonitrile
CID 146479975
4-(2-chlorophenyl)-1-[3-[[2-[(3S)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxy]propyl]piperidine-4-carbonitrile
CID 162769854
(3S)-3-[7-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propoxy]-3-oxo-1H-isoindol-2-yl]-3-methylpiperidine-2,6-dione
CID 162769888
2-[4-[[2-[(3R)-3-methyl-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]-2-morpholin-4-ylacetonitrile
CID 163858471

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione (CID 164919881) is 3-methyl-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-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione is CC1(N2Cc3c(ccc4c3CNC4)C2=O)CCC(=O)NC1=O.
What is the InChIKey of 3-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is VUOVAHAUSZVLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-16(5-4-13(20)18-15(16)22)19-8-12-10(14(19)21)3-2-9-6-17-7-11(9)12/h2-3,17H,4-8H2,1H3,(H,18,20,22).
What are the key properties of 3-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione?
3-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 299.33 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(3-oxo-1,6,7,8-tetrahydropyrrolo[3,4-e]isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 164919881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).