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

C12H8N2O4 — CID 2729631

IUPAC2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O
InChIInChI=1S/C12H8N2O4/c1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17/h3-4H,1-2H3
InChIKeyKFRQIZZPJFOLEH-UHFFFAOYSA-N
MW244.21 g/mol
LogP-1.01
Rot. Bonds

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

2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 2729631) has the molecular formula C12H8N2O4 and a molecular weight of 244.21 g/mol. Its IUPAC name is 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID2729631
Molecular FormulaC12H8N2O4
Molecular Weight244.21 g/mol
Exact Mass244.05
IUPAC Name2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCn1c(=O)c2cc3c(=O)n(C)c(=O)c3cc2c1=O
InChIInChI=1S/C12H8N2O4/c1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17/h3-4H,1-2H3
InChIKeyKFRQIZZPJFOLEH-UHFFFAOYSA-N
XLogP-1.01
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.21
LogP ≤ 5-1.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 2729631) is 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is 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?
The InChIKey is KFRQIZZPJFOLEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O4/c1-13-9(15)5-3-7-8(4-6(5)10(13)16)12(18)14(2)11(7)17/h3-4H,1-2H3.
What are the key properties of 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 244.21 g/mol, XLogP of -1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 2729631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).