2-(2-hydroxy-3-morpholin-4-ylpropyl)isoindole-1,3-dione

C15H18N2O4 — CID 3112589

IUPAC2-(2-hydroxy-3-morpholin-4-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)CN1CCOCC1
InChIInChI=1S/C15H18N2O4/c18-11(9-16-5-7-21-8-6-16)10-17-14(19)12-3-1-2-4-13(12)15(17)20/h1-4,11,18H,5-10H2
InChIKeyKRPPDJHRNRJDAE-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.02
Rot. Bonds4

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

2-(2-hydroxy-3-morpholin-4-ylpropyl)isoindole-1,3-dione (PubChem CID 3112589) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(2-hydroxy-3-morpholin-4-ylpropyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2-hydroxy-3-morpholin-4-ylpropyl)isoindole-1,3-dione
PubChem CID3112589
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-(2-hydroxy-3-morpholin-4-ylpropyl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CC(O)CN1CCOCC1
InChIInChI=1S/C15H18N2O4/c18-11(9-16-5-7-21-8-6-16)10-17-14(19)12-3-1-2-4-13(12)15(17)20/h1-4,11,18H,5-10H2
InChIKeyKRPPDJHRNRJDAE-UHFFFAOYSA-N
XLogP-0.02
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-morpholin-4-ylpropyl)isoindole-1,3-dione?
The IUPAC name of 2-(2-hydroxy-3-morpholin-4-ylpropyl)isoindole-1,3-dione (CID 3112589) is 2-(2-hydroxy-3-morpholin-4-ylpropyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2-hydroxy-3-morpholin-4-ylpropyl)isoindole-1,3-dione?
The canonical SMILES for 2-(2-hydroxy-3-morpholin-4-ylpropyl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CC(O)CN1CCOCC1.
What is the InChIKey of 2-(2-hydroxy-3-morpholin-4-ylpropyl)isoindole-1,3-dione?
The InChIKey is KRPPDJHRNRJDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-11(9-16-5-7-21-8-6-16)10-17-14(19)12-3-1-2-4-13(12)15(17)20/h1-4,11,18H,5-10H2.
What are the key properties of 2-(2-hydroxy-3-morpholin-4-ylpropyl)isoindole-1,3-dione?
2-(2-hydroxy-3-morpholin-4-ylpropyl)isoindole-1,3-dione has a molecular weight of 290.32 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-morpholin-4-ylpropyl)isoindole-1,3-dione is sourced from PubChem (CID 3112589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).