2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione

C18H12N2O4 — CID 973288

IUPAC2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O
InChIInChI=1S/C18H12N2O4/c1-19-15(21)11-5-3-9(7-13(11)17(19)23)10-4-6-12-14(8-10)18(24)20(2)16(12)22/h3-8H,1-2H3
InChIKeyQDZMJCBVZDEUDQ-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.81
Rot. Bonds1

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

2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione (PubChem CID 973288) has the molecular formula C18H12N2O4 and a molecular weight of 320.30 g/mol. Its IUPAC name is 2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
PubChem CID973288
Molecular FormulaC18H12N2O4
Molecular Weight320.30 g/mol
Exact Mass320.08
IUPAC Name2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
SMILESCN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O
InChIInChI=1S/C18H12N2O4/c1-19-15(21)11-5-3-9(7-13(11)17(19)23)10-4-6-12-14(8-10)18(24)20(2)16(12)22/h3-8H,1-2H3
InChIKeyQDZMJCBVZDEUDQ-UHFFFAOYSA-N
XLogP1.81
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione (CID 973288) is 2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione is CN1C(=O)c2ccc(-c3ccc4c(c3)C(=O)N(C)C4=O)cc2C1=O.
What is the InChIKey of 2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione?
The InChIKey is QDZMJCBVZDEUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N2O4/c1-19-15(21)11-5-3-9(7-13(11)17(19)23)10-4-6-12-14(8-10)18(24)20(2)16(12)22/h3-8H,1-2H3.
What are the key properties of 2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione?
2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione has a molecular weight of 320.30 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione is sourced from PubChem (CID 973288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).