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

C14H12N2O4 — CID 11054801

IUPAC2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCCn1c(=O)c2cc3c(=O)n(CC)c(=O)c3cc2c1=O
InChIInChI=1S/C14H12N2O4/c1-3-15-11(17)7-5-9-10(6-8(7)12(15)18)14(20)16(4-2)13(9)19/h5-6H,3-4H2,1-2H3
InChIKeySNZOALZDDAZGBX-UHFFFAOYSA-N
MW272.26 g/mol
LogP-0.05
Rot. Bonds2

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

2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 11054801) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID11054801
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC Name2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESCCn1c(=O)c2cc3c(=O)n(CC)c(=O)c3cc2c1=O
InChIInChI=1S/C14H12N2O4/c1-3-15-11(17)7-5-9-10(6-8(7)12(15)18)14(20)16(4-2)13(9)19/h5-6H,3-4H2,1-2H3
InChIKeySNZOALZDDAZGBX-UHFFFAOYSA-N
XLogP-0.05
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 11054801) is 2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is CCn1c(=O)c2cc3c(=O)n(CC)c(=O)c3cc2c1=O.
What is the InChIKey of 2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is SNZOALZDDAZGBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-3-15-11(17)7-5-9-10(6-8(7)12(15)18)14(20)16(4-2)13(9)19/h5-6H,3-4H2,1-2H3.
What are the key properties of 2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 272.26 g/mol, XLogP of -0.05, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 11054801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).