2-(2-phenylethenyl)benzo[de]isoquinoline-1,3-dione

C20H13NO2 — CID 73321848

IUPAC2-(2-phenylethenyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1C=Cc1ccccc1
InChIInChI=1S/C20H13NO2/c22-19-16-10-4-8-15-9-5-11-17(18(15)16)20(23)21(19)13-12-14-6-2-1-3-7-14/h1-13H
InChIKeyQVWGIKMNOXOKDP-UHFFFAOYSA-N
MW299.33 g/mol
LogP4.11
Rot. Bonds2

About 2-(2-phenylethenyl)benzo[de]isoquinoline-1,3-dione

2-(2-phenylethenyl)benzo[de]isoquinoline-1,3-dione (PubChem CID 73321848) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(2-phenylethenyl)benzo[de]isoquinoline-1,3-dione.

Molecular Properties

Compound Name2-(2-phenylethenyl)benzo[de]isoquinoline-1,3-dione
PubChem CID73321848
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name2-(2-phenylethenyl)benzo[de]isoquinoline-1,3-dione
SMILESO=C1c2cccc3cccc(c23)C(=O)N1C=Cc1ccccc1
InChIInChI=1S/C20H13NO2/c22-19-16-10-4-8-15-9-5-11-17(18(15)16)20(23)21(19)13-12-14-6-2-1-3-7-14/h1-13H
InChIKeyQVWGIKMNOXOKDP-UHFFFAOYSA-N
XLogP4.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-phenylethenyl)pyrrole-2,5-dione
CID 57168936
gadolinium;2-hydroxybenzo[de]isoquinoline-1,3-dione
CID 174736073
2-(3-deuteriocarbonylphenyl)benzo[de]isoquinoline-1,3-dione
CID 59970412
2-[(4-chlorophenyl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 689663
2-(2,3,4,5,6-pentamethylphenyl)benzo[de]isoquinoline-1,3-dione
CID 132965970
2-[(E)-2-bromoethenyl]isoindole-1,3-dione
CID 139241091
methanethiol;2-methanidylbenzo[de]isoquinoline-1,3-dione;terbium
CID 58019216
ethane;methanol;2-methylbenzo[de]isoquinoline-1,3-dione
CID 91221858
methanethiol;2-methanidylbenzo[de]isoquinoline-1,3-dione;tantalum(2+)
CID 58019231
fluoranthene
CID 139203734
4,4-dimethyl-1-(2-phenylethenyl)piperidine-2,6-dione
CID 71425791
2-[(Z)-(6-methoxynaphthalen-2-yl)methylideneamino]benzo[de]isoquinoline-1,3-dione
CID 9359739

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenyl)benzo[de]isoquinoline-1,3-dione?
The IUPAC name of 2-(2-phenylethenyl)benzo[de]isoquinoline-1,3-dione (CID 73321848) is 2-(2-phenylethenyl)benzo[de]isoquinoline-1,3-dione.
What is the SMILES notation for 2-(2-phenylethenyl)benzo[de]isoquinoline-1,3-dione?
The canonical SMILES for 2-(2-phenylethenyl)benzo[de]isoquinoline-1,3-dione is O=C1c2cccc3cccc(c23)C(=O)N1C=Cc1ccccc1.
What is the InChIKey of 2-(2-phenylethenyl)benzo[de]isoquinoline-1,3-dione?
The InChIKey is QVWGIKMNOXOKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c22-19-16-10-4-8-15-9-5-11-17(18(15)16)20(23)21(19)13-12-14-6-2-1-3-7-14/h1-13H.
What are the key properties of 2-(2-phenylethenyl)benzo[de]isoquinoline-1,3-dione?
2-(2-phenylethenyl)benzo[de]isoquinoline-1,3-dione has a molecular weight of 299.33 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenyl)benzo[de]isoquinoline-1,3-dione is sourced from PubChem (CID 73321848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).