2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

C16H12N2O4 — CID 15185490

IUPAC2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESC=CCn1c(=O)c2cc3c(=O)n(CC=C)c(=O)c3cc2c1=O
InChIInChI=1S/C16H12N2O4/c1-3-5-17-13(19)9-7-11-12(8-10(9)14(17)20)16(22)18(6-4-2)15(11)21/h3-4,7-8H,1-2,5-6H2
InChIKeyCGAOYVUPYCKWQB-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.28
Rot. Bonds4

About 2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone

2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (PubChem CID 15185490) has the molecular formula C16H12N2O4 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.

Molecular Properties

Compound Name2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
PubChem CID15185490
Molecular FormulaC16H12N2O4
Molecular Weight296.28 g/mol
Exact Mass296.08
IUPAC Name2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
SMILESC=CCn1c(=O)c2cc3c(=O)n(CC=C)c(=O)c3cc2c1=O
InChIInChI=1S/C16H12N2O4/c1-3-5-17-13(19)9-7-11-12(8-10(9)14(17)20)16(22)18(6-4-2)15(11)21/h3-4,7-8H,1-2,5-6H2
InChIKeyCGAOYVUPYCKWQB-UHFFFAOYSA-N
XLogP0.28
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2,6-bis(prop-2-enyl)pyrrolo[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-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The IUPAC name of 2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone (CID 15185490) is 2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone.
What is the SMILES notation for 2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The canonical SMILES for 2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is C=CCn1c(=O)c2cc3c(=O)n(CC=C)c(=O)c3cc2c1=O.
What is the InChIKey of 2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
The InChIKey is CGAOYVUPYCKWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4/c1-3-5-17-13(19)9-7-11-12(8-10(9)14(17)20)16(22)18(6-4-2)15(11)21/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone?
2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone has a molecular weight of 296.28 g/mol, XLogP of 0.28, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(prop-2-enyl)pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone is sourced from PubChem (CID 15185490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).