2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione

C13H14N2O2 — CID 103430966

IUPAC2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(C1CNC1)C2=O
InChIInChI=1S/C13H14N2O2/c1-7-3-4-8(2)11-10(7)12(16)15(13(11)17)9-5-14-6-9/h3-4,9,14H,5-6H2,1-2H3
InChIKeyUBLVYCOOUPAYBN-UHFFFAOYSA-N
MW230.27 g/mol
LogP0.87
Rot. Bonds1

About 2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione

2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione (PubChem CID 103430966) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione
PubChem CID103430966
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione
SMILESCc1ccc(C)c2c1C(=O)N(C1CNC1)C2=O
InChIInChI=1S/C13H14N2O2/c1-7-3-4-8(2)11-10(7)12(16)15(13(11)17)9-5-14-6-9/h3-4,9,14H,5-6H2,1-2H3
InChIKeyUBLVYCOOUPAYBN-UHFFFAOYSA-N
XLogP0.87
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(azetidin-3-yl)-4,7-dimethylisoindole-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 2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione?
The IUPAC name of 2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione (CID 103430966) is 2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione.
What is the SMILES notation for 2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione?
The canonical SMILES for 2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione is Cc1ccc(C)c2c1C(=O)N(C1CNC1)C2=O.
What is the InChIKey of 2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione?
The InChIKey is UBLVYCOOUPAYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-7-3-4-8(2)11-10(7)12(16)15(13(11)17)9-5-14-6-9/h3-4,9,14H,5-6H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione?
2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione has a molecular weight of 230.27 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4,7-dimethylisoindole-1,3-dione is sourced from PubChem (CID 103430966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).