2-(1-morpholin-4-yl-1-oxopropan-2-yl)isoindole-1,3-dione

C15H16N2O4 — CID 660392

IUPAC2-(1-morpholin-4-yl-1-oxopropan-2-yl)isoindole-1,3-dione
SMILESCC(C(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H16N2O4/c1-10(13(18)16-6-8-21-9-7-16)17-14(19)11-4-2-3-5-12(11)15(17)20/h2-5,10H,6-9H2,1H3
InChIKeySYABYJUMIQCIRA-UHFFFAOYSA-N
MW288.30 g/mol
LogP0.53
Rot. Bonds2

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

2-(1-morpholin-4-yl-1-oxopropan-2-yl)isoindole-1,3-dione (PubChem CID 660392) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 2-(1-morpholin-4-yl-1-oxopropan-2-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-morpholin-4-yl-1-oxopropan-2-yl)isoindole-1,3-dione
PubChem CID660392
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name2-(1-morpholin-4-yl-1-oxopropan-2-yl)isoindole-1,3-dione
SMILESCC(C(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C15H16N2O4/c1-10(13(18)16-6-8-21-9-7-16)17-14(19)11-4-2-3-5-12(11)15(17)20/h2-5,10H,6-9H2,1H3
InChIKeySYABYJUMIQCIRA-UHFFFAOYSA-N
XLogP0.53
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(1-morpholin-4-yl-1-oxopropan-2-yl)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-(1-morpholin-4-yl-1-oxopropan-2-yl)isoindole-1,3-dione?
The IUPAC name of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)isoindole-1,3-dione (CID 660392) is 2-(1-morpholin-4-yl-1-oxopropan-2-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)isoindole-1,3-dione is CC(C(=O)N1CCOCC1)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)isoindole-1,3-dione?
The InChIKey is SYABYJUMIQCIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-10(13(18)16-6-8-21-9-7-16)17-14(19)11-4-2-3-5-12(11)15(17)20/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-(1-morpholin-4-yl-1-oxopropan-2-yl)isoindole-1,3-dione?
2-(1-morpholin-4-yl-1-oxopropan-2-yl)isoindole-1,3-dione has a molecular weight of 288.30 g/mol, XLogP of 0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-morpholin-4-yl-1-oxopropan-2-yl)isoindole-1,3-dione is sourced from PubChem (CID 660392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).