2-(1,2-dihydroacenaphthylen-5-yl)isoindole-1,3-dione

C20H13NO2 — CID 713134

IUPAC2-(1,2-dihydroacenaphthylen-5-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H13NO2/c22-19-14-5-1-2-6-15(14)20(23)21(19)17-11-10-13-9-8-12-4-3-7-16(17)18(12)13/h1-7,10-11H,8-9H2
InChIKeyZXWCESYZSUYVQY-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.74
Rot. Bonds1

About 2-(1,2-dihydroacenaphthylen-5-yl)isoindole-1,3-dione

2-(1,2-dihydroacenaphthylen-5-yl)isoindole-1,3-dione (PubChem CID 713134) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(1,2-dihydroacenaphthylen-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1,2-dihydroacenaphthylen-5-yl)isoindole-1,3-dione
PubChem CID713134
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name2-(1,2-dihydroacenaphthylen-5-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc2c3c(cccc13)CC2
InChIInChI=1S/C20H13NO2/c22-19-14-5-1-2-6-15(14)20(23)21(19)17-11-10-13-9-8-12-4-3-7-16(17)18(12)13/h1-7,10-11H,8-9H2
InChIKeyZXWCESYZSUYVQY-UHFFFAOYSA-N
XLogP3.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1,2-dihydroacenaphthylen-5-yl)isoindole-1,3-dione (CID 713134) is 2-(1,2-dihydroacenaphthylen-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1,2-dihydroacenaphthylen-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1,2-dihydroacenaphthylen-5-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc2c3c(cccc13)CC2.
What is the InChIKey of 2-(1,2-dihydroacenaphthylen-5-yl)isoindole-1,3-dione?
The InChIKey is ZXWCESYZSUYVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c22-19-14-5-1-2-6-15(14)20(23)21(19)17-11-10-13-9-8-12-4-3-7-16(17)18(12)13/h1-7,10-11H,8-9H2.
What are the key properties of 2-(1,2-dihydroacenaphthylen-5-yl)isoindole-1,3-dione?
2-(1,2-dihydroacenaphthylen-5-yl)isoindole-1,3-dione has a molecular weight of 299.33 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-dihydroacenaphthylen-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 713134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).