4,5-dimethylisoindole-1,3-dione

C10H9NO2 — CID 600300

IUPAC4,5-dimethylisoindole-1,3-dione
SMILESCc1ccc2c(c1C)C(=O)NC2=O
InChIInChI=1S/C10H9NO2/c1-5-3-4-7-8(6(5)2)10(13)11-9(7)12/h3-4H,1-2H3,(H,11,12,13)
InChIKeyIAGZAIHSURVYSD-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.19
Rot. Bonds

About 4,5-dimethylisoindole-1,3-dione

4,5-dimethylisoindole-1,3-dione (PubChem CID 600300) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 4,5-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name4,5-dimethylisoindole-1,3-dione
PubChem CID600300
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name4,5-dimethylisoindole-1,3-dione
SMILESCc1ccc2c(c1C)C(=O)NC2=O
InChIInChI=1S/C10H9NO2/c1-5-3-4-7-8(6(5)2)10(13)11-9(7)12/h3-4H,1-2H3,(H,11,12,13)
InChIKeyIAGZAIHSURVYSD-UHFFFAOYSA-N
XLogP1.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.19
H-Bond Donors ≤ 51
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 4,5-dimethylisoindole-1,3-dione?
The IUPAC name of 4,5-dimethylisoindole-1,3-dione (CID 600300) is 4,5-dimethylisoindole-1,3-dione.
What is the SMILES notation for 4,5-dimethylisoindole-1,3-dione?
The canonical SMILES for 4,5-dimethylisoindole-1,3-dione is Cc1ccc2c(c1C)C(=O)NC2=O.
What is the InChIKey of 4,5-dimethylisoindole-1,3-dione?
The InChIKey is IAGZAIHSURVYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c1-5-3-4-7-8(6(5)2)10(13)11-9(7)12/h3-4H,1-2H3,(H,11,12,13).
What are the key properties of 4,5-dimethylisoindole-1,3-dione?
4,5-dimethylisoindole-1,3-dione has a molecular weight of 175.19 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylisoindole-1,3-dione is sourced from PubChem (CID 600300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).