4-amino-5-methylbenzo[e]isoindole-1,3-dione

C13H10N2O2 — CID 54165861

IUPAC4-amino-5-methylbenzo[e]isoindole-1,3-dione
SMILESCc1c(N)c2c(c3ccccc13)C(=O)NC2=O
InChIInChI=1S/C13H10N2O2/c1-6-7-4-2-3-5-8(7)9-10(11(6)14)13(17)15-12(9)16/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyOROVIPQHNXECJG-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.61
Rot. Bonds

About 4-amino-5-methylbenzo[e]isoindole-1,3-dione

4-amino-5-methylbenzo[e]isoindole-1,3-dione (PubChem CID 54165861) has the molecular formula C13H10N2O2 and a molecular weight of 226.23 g/mol. Its IUPAC name is 4-amino-5-methylbenzo[e]isoindole-1,3-dione.

Molecular Properties

Compound Name4-amino-5-methylbenzo[e]isoindole-1,3-dione
PubChem CID54165861
Molecular FormulaC13H10N2O2
Molecular Weight226.23 g/mol
Exact Mass226.07
IUPAC Name4-amino-5-methylbenzo[e]isoindole-1,3-dione
SMILESCc1c(N)c2c(c3ccccc13)C(=O)NC2=O
InChIInChI=1S/C13H10N2O2/c1-6-7-4-2-3-5-8(7)9-10(11(6)14)13(17)15-12(9)16/h2-5H,14H2,1H3,(H,15,16,17)
InChIKeyOROVIPQHNXECJG-UHFFFAOYSA-N
XLogP1.61
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-amino-5-methylbenzo[e]isoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methylbenzo[e]isoindole-1,3-dione?
The IUPAC name of 4-amino-5-methylbenzo[e]isoindole-1,3-dione (CID 54165861) is 4-amino-5-methylbenzo[e]isoindole-1,3-dione.
What is the SMILES notation for 4-amino-5-methylbenzo[e]isoindole-1,3-dione?
The canonical SMILES for 4-amino-5-methylbenzo[e]isoindole-1,3-dione is Cc1c(N)c2c(c3ccccc13)C(=O)NC2=O.
What is the InChIKey of 4-amino-5-methylbenzo[e]isoindole-1,3-dione?
The InChIKey is OROVIPQHNXECJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-6-7-4-2-3-5-8(7)9-10(11(6)14)13(17)15-12(9)16/h2-5H,14H2,1H3,(H,15,16,17).
What are the key properties of 4-amino-5-methylbenzo[e]isoindole-1,3-dione?
4-amino-5-methylbenzo[e]isoindole-1,3-dione has a molecular weight of 226.23 g/mol, XLogP of 1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methylbenzo[e]isoindole-1,3-dione is sourced from PubChem (CID 54165861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).