2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone

C20H14N2O4 — CID 15185493

IUPAC2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone
SMILESC=CCn1c(=O)c2cc3cc4c(=O)n(CC=C)c(=O)c4cc3cc2c1=O
InChIInChI=1S/C20H14N2O4/c1-3-5-21-17(23)13-7-11-9-15-16(10-12(11)8-14(13)18(21)24)20(26)22(6-4-2)19(15)25/h3-4,7-10H,1-2,5-6H2
InChIKeyCZFLINQMFBVNRG-UHFFFAOYSA-N
MW346.34 g/mol
LogP1.44
Rot. Bonds4

About 2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone

2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone (PubChem CID 15185493) has the molecular formula C20H14N2O4 and a molecular weight of 346.34 g/mol. Its IUPAC name is 2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone.

Molecular Properties

Compound Name2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone
PubChem CID15185493
Molecular FormulaC20H14N2O4
Molecular Weight346.34 g/mol
Exact Mass346.10
IUPAC Name2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone
SMILESC=CCn1c(=O)c2cc3cc4c(=O)n(CC=C)c(=O)c4cc3cc2c1=O
InChIInChI=1S/C20H14N2O4/c1-3-5-21-17(23)13-7-11-9-15-16(10-12(11)8-14(13)18(21)24)20(26)22(6-4-2)19(15)25/h3-4,7-10H,1-2,5-6H2
InChIKeyCZFLINQMFBVNRG-UHFFFAOYSA-N
XLogP1.44
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.34
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone?
The IUPAC name of 2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone (CID 15185493) is 2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone.
What is the SMILES notation for 2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone?
The canonical SMILES for 2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone is C=CCn1c(=O)c2cc3cc4c(=O)n(CC=C)c(=O)c4cc3cc2c1=O.
What is the InChIKey of 2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone?
The InChIKey is CZFLINQMFBVNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O4/c1-3-5-21-17(23)13-7-11-9-15-16(10-12(11)8-14(13)18(21)24)20(26)22(6-4-2)19(15)25/h3-4,7-10H,1-2,5-6H2.
What are the key properties of 2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone?
2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone has a molecular weight of 346.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-bis(prop-2-enyl)isoindolo[5,6-f]isoindole-1,3,6,8-tetrone is sourced from PubChem (CID 15185493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).