2-morpholin-4-ylisoindole-1,3-dione

C12H12N2O3 — CID 57312191

IUPAC2-morpholin-4-ylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N1CCOCC1
InChIInChI=1S/C12H12N2O3/c15-11-9-3-1-2-4-10(9)12(16)14(11)13-5-7-17-8-6-13/h1-4H,5-8H2
InChIKeyQOCOMYJLDGXIJC-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.53
Rot. Bonds1

About 2-morpholin-4-ylisoindole-1,3-dione

2-morpholin-4-ylisoindole-1,3-dione (PubChem CID 57312191) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-morpholin-4-ylisoindole-1,3-dione.

Molecular Properties

Compound Name2-morpholin-4-ylisoindole-1,3-dione
PubChem CID57312191
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name2-morpholin-4-ylisoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1N1CCOCC1
InChIInChI=1S/C12H12N2O3/c15-11-9-3-1-2-4-10(9)12(16)14(11)13-5-7-17-8-6-13/h1-4H,5-8H2
InChIKeyQOCOMYJLDGXIJC-UHFFFAOYSA-N
XLogP0.53
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-Epoxypropyl)phthalimide
CID 21601
N-Butylphthalimide
CID 73812
N-Ethylphthalimide
CID 21120
N-(2-Methylallyl)-phthalimide
CID 231838
N-Cyclohexylphthalimide
CID 225739
PIMOM (N-Methoxymethyl phthalimide
CID 12246933
Phthalimide, N-((morpholinocarbonyl)methyl)-
CID 95006
N-Propylphthalimide
CID 79215
Phthalimide, N-(3-methyl-2-butenyl)-
CID 96648
N-(3-Phenylallyl)phthalimide
CID 5389074
N-Aminophthalimide
CID 74645
N-(2-Hydroxyethyl)phthalimide
CID 77499

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylisoindole-1,3-dione?
The IUPAC name of 2-morpholin-4-ylisoindole-1,3-dione (CID 57312191) is 2-morpholin-4-ylisoindole-1,3-dione.
What is the SMILES notation for 2-morpholin-4-ylisoindole-1,3-dione?
The canonical SMILES for 2-morpholin-4-ylisoindole-1,3-dione is O=C1c2ccccc2C(=O)N1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylisoindole-1,3-dione?
The InChIKey is QOCOMYJLDGXIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c15-11-9-3-1-2-4-10(9)12(16)14(11)13-5-7-17-8-6-13/h1-4H,5-8H2.
What are the key properties of 2-morpholin-4-ylisoindole-1,3-dione?
2-morpholin-4-ylisoindole-1,3-dione has a molecular weight of 232.24 g/mol, XLogP of 0.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylisoindole-1,3-dione is sourced from PubChem (CID 57312191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).