2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione

C30H20N4O8 — CID 161253964

IUPAC2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.Cn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O
InChIInChI=1S/C18H12N2O4.C12H8N2O4/c1-19-15(21)11-5-3-9(7-13(11)17(19)23)10-4-6-12-14(8-10)18(24)20(2)16(12)22;1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17/h3-8H,1-2H3;3-4H,1-2H3
InChIKeyVBQMBGCGPHTNOU-UHFFFAOYSA-N
MW564.51 g/mol
LogP0.79
Rot. Bonds1

About 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione

2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione (PubChem CID 161253964) has the molecular formula C30H20N4O8 and a molecular weight of 564.51 g/mol. Its IUPAC name is 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
PubChem CID161253964
Molecular FormulaC30H20N4O8
Molecular Weight564.51 g/mol
Exact Mass564.13
IUPAC Name2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.Cn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O
InChIInChI=1S/C18H12N2O4.C12H8N2O4/c1-19-15(21)11-5-3-9(7-13(11)17(19)23)10-4-6-12-14(8-10)18(24)20(2)16(12)22;1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17/h3-8H,1-2H3;3-4H,1-2H3
InChIKeyVBQMBGCGPHTNOU-UHFFFAOYSA-N
XLogP0.79
TPSA152.90 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds1
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.51
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione with MolForge

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Related Compounds

2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 973288
2-[5-(2-methyl-1,3-dioxoisoindol-5-yl)-1,3-dioxoisoindol-2-yl]-6-[4-[(4-methylphenyl)methyl]phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 134372814
2-methyl-5-[2-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione;2-methyl-5-[2-(4-methylphenyl)-1,3-dioxoisoindol-5-yl]isoindole-1,3-dione
CID 90981882
2-amino-6-methylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 130207216
5-[methoxy(dimethyl)silyl]-2-methylisoindole-1,3-dione
CID 21287579
2-methyl-1,3-dioxoisoindole-5-diazonium
CID 101332982
5-(aminomethyl)-2-methylisoindole-1,3-dione
CID 82404123
6-methyl-2-(4-methylphenyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 22949757
ethane;2-methyl-5-[2-(2-methyl-1,3-dioxoisoindol-5-yl)propan-2-yl]isoindole-1,3-dione
CID 143852340
(2-methyl-1,3-dioxoisoindol-5-yl) thiohypochlorite
CID 163466743
2-methoxycarbonyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)benzoic acid
CID 164706225
2-methyl-N-[4-(4-methylphenoxy)phenyl]-1,3-dioxoisoindole-5-carboxamide;6-methyl-2-[4-(4-methylphenoxy)phenyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 143437368

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione?
The IUPAC name of 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione (CID 161253964) is 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione is CN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.Cn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O.
What is the InChIKey of 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione?
The InChIKey is VBQMBGCGPHTNOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4.C12H8N2O4/c1-19-15(21)11-5-3-9(7-13(11)17(19)23)10-4-6-12-14(8-10)18(24)20(2)16(12)22;1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17/h3-8H,1-2H3;3-4H,1-2H3.
What are the key properties of 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione?
2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione has a molecular weight of 564.51 g/mol, XLogP of 0.79, 1 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone;2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 161253964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).