2-(2-morpholin-4-ylethyl)isoindole-1,3-dione

C14H16N2O3 — CID 779502

IUPAC2-(2-morpholin-4-ylethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CCOCC1
InChIInChI=1S/C14H16N2O3/c17-13-11-3-1-2-4-12(11)14(18)16(13)6-5-15-7-9-19-10-8-15/h1-4H,5-10H2
InChIKeyHZYIEFBIKQXUHA-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.61
Rot. Bonds3

About 2-(2-morpholin-4-ylethyl)isoindole-1,3-dione

2-(2-morpholin-4-ylethyl)isoindole-1,3-dione (PubChem CID 779502) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-morpholin-4-ylethyl)isoindole-1,3-dione
PubChem CID779502
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name2-(2-morpholin-4-ylethyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCN1CCOCC1
InChIInChI=1S/C14H16N2O3/c17-13-11-3-1-2-4-12(11)14(18)16(13)6-5-15-7-9-19-10-8-15/h1-4H,5-10H2
InChIKeyHZYIEFBIKQXUHA-UHFFFAOYSA-N
XLogP0.61
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-morpholin-4-ylethyl)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 2-(2-morpholin-4-ylethyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-morpholin-4-ylethyl)isoindole-1,3-dione (CID 779502) is 2-(2-morpholin-4-ylethyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-morpholin-4-ylethyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-morpholin-4-ylethyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCN1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylethyl)isoindole-1,3-dione?
The InChIKey is HZYIEFBIKQXUHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c17-13-11-3-1-2-4-12(11)14(18)16(13)6-5-15-7-9-19-10-8-15/h1-4H,5-10H2.
What are the key properties of 2-(2-morpholin-4-ylethyl)isoindole-1,3-dione?
2-(2-morpholin-4-ylethyl)isoindole-1,3-dione has a molecular weight of 260.29 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylethyl)isoindole-1,3-dione is sourced from PubChem (CID 779502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).