2,6-diacetylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C14H8N2O6 — CID 56634945

IUPAC2,6-diacetylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCC(=O)n1c(=O)c2cc3c(=O)n(C(C)=O)c(=O)c3cc2c1=O
InChIInChI=1S/C14H8N2O6/c1-5(17)15-11(19)7-3-9-10(4-8(7)12(15)20)14(22)16(6(2)18)13(9)21/h3-4H,1-2H3
InChIKeyIIKXNTYXOVUUOW-UHFFFAOYSA-N
MW300.23 g/mol
LogP-0.77
Rot. Bonds

About 2,6-diacetylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2,6-diacetylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 56634945) has the molecular formula C14H8N2O6 and a molecular weight of 300.23 g/mol. Its IUPAC name is 2,6-diacetylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-diacetylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID56634945
Molecular FormulaC14H8N2O6
Molecular Weight300.23 g/mol
Exact Mass300.04
IUPAC Name2,6-diacetylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCC(=O)n1c(=O)c2cc3c(=O)n(C(C)=O)c(=O)c3cc2c1=O
InChIInChI=1S/C14H8N2O6/c1-5(17)15-11(19)7-3-9-10(4-8(7)12(15)20)14(22)16(6(2)18)13(9)21/h3-4H,1-2H3
InChIKeyIIKXNTYXOVUUOW-UHFFFAOYSA-N
XLogP-0.77
TPSA112.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 5-0.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 228085
Benzo(1,2-c:4,5-c')dipyrrole-1,3,5,7(2H,6H)-tetrone
CID 75696
2,2'-Thiobis(1H-isoindole-1,3(2H)-dione)
CID 82196
2,6-Bis-(3-hydroxy-propyl)-pyrrolo(3,4-F)isoindole-1,3,5,7-tetraone
CID 1976787
2-Isobutyl-3-oxoisoindoline-4-carboxamide
CID 24937580
2-Methyl-3-oxoisoindoline-4-carboxamide
CID 24937582
N-Acetylphthalimide
CID 243267
Cambridge id 5105134
CID 2053751
N-tert-Butylphthalimide
CID 244292
1,2,4,5-Benzenetetracarboxylic 1,2:4,5-diimide, N,N'-bis(4-(piperidino)but-2-ynyl)-
CID 100718
N,N'-Dihydroxypyromellitimide
CID 221479
5-methyl-2,3-dihydro-1H-isoindole-1,3-dione
CID 5148269

Frequently Asked Questions

What is the IUPAC name of 2,6-diacetylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-diacetylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 56634945) is 2,6-diacetylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-diacetylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-diacetylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is CC(=O)n1c(=O)c2cc3c(=O)n(C(C)=O)c(=O)c3cc2c1=O.
What is the InChIKey of 2,6-diacetylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is IIKXNTYXOVUUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O6/c1-5(17)15-11(19)7-3-9-10(4-8(7)12(15)20)14(22)16(6(2)18)13(9)21/h3-4H,1-2H3.
What are the key properties of 2,6-diacetylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-diacetylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 300.23 g/mol, XLogP of -0.77, 0 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diacetylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 56634945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).