4-methylbenzo[e]isoindole-1,3-dione

C13H9NO2 — CID 45484146

IUPAC4-methylbenzo[e]isoindole-1,3-dione
SMILESCc1cc2ccccc2c2c1C(=O)NC2=O
InChIInChI=1S/C13H9NO2/c1-7-6-8-4-2-3-5-9(8)11-10(7)12(15)14-13(11)16/h2-6H,1H3,(H,14,15,16)
InChIKeyAOBGLLPBRSOPOO-UHFFFAOYSA-N
MW211.22 g/mol
LogP2.03
Rot. Bonds

About 4-methylbenzo[e]isoindole-1,3-dione

4-methylbenzo[e]isoindole-1,3-dione (PubChem CID 45484146) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-methylbenzo[e]isoindole-1,3-dione.

Molecular Properties

Compound Name4-methylbenzo[e]isoindole-1,3-dione
PubChem CID45484146
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name4-methylbenzo[e]isoindole-1,3-dione
SMILESCc1cc2ccccc2c2c1C(=O)NC2=O
InChIInChI=1S/C13H9NO2/c1-7-6-8-4-2-3-5-9(8)11-10(7)12(15)14-13(11)16/h2-6H,1H3,(H,14,15,16)
InChIKeyAOBGLLPBRSOPOO-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 52.03
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-methylbenzo[e]isoindole-1,3-dione?
The IUPAC name of 4-methylbenzo[e]isoindole-1,3-dione (CID 45484146) is 4-methylbenzo[e]isoindole-1,3-dione.
What is the SMILES notation for 4-methylbenzo[e]isoindole-1,3-dione?
The canonical SMILES for 4-methylbenzo[e]isoindole-1,3-dione is Cc1cc2ccccc2c2c1C(=O)NC2=O.
What is the InChIKey of 4-methylbenzo[e]isoindole-1,3-dione?
The InChIKey is AOBGLLPBRSOPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO2/c1-7-6-8-4-2-3-5-9(8)11-10(7)12(15)14-13(11)16/h2-6H,1H3,(H,14,15,16).
What are the key properties of 4-methylbenzo[e]isoindole-1,3-dione?
4-methylbenzo[e]isoindole-1,3-dione has a molecular weight of 211.22 g/mol, XLogP of 2.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylbenzo[e]isoindole-1,3-dione is sourced from PubChem (CID 45484146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).