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

C16H18N2O4 — CID 582363

IUPAC2-(4-morpholin-4-yl-4-oxobutyl)isoindole-1,3-dione
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)N1CCOCC1
InChIInChI=1S/C16H18N2O4/c19-14(17-8-10-22-11-9-17)6-3-7-18-15(20)12-4-1-2-5-13(12)16(18)21/h1-2,4-5H,3,6-11H2
InChIKeyKQBMRBZBSXQZCA-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.92
Rot. Bonds4

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

2-(4-morpholin-4-yl-4-oxobutyl)isoindole-1,3-dione (PubChem CID 582363) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(4-morpholin-4-yl-4-oxobutyl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(4-morpholin-4-yl-4-oxobutyl)isoindole-1,3-dione
PubChem CID582363
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name2-(4-morpholin-4-yl-4-oxobutyl)isoindole-1,3-dione
SMILESO=C(CCCN1C(=O)c2ccccc2C1=O)N1CCOCC1
InChIInChI=1S/C16H18N2O4/c19-14(17-8-10-22-11-9-17)6-3-7-18-15(20)12-4-1-2-5-13(12)16(18)21/h1-2,4-5H,3,6-11H2
InChIKeyKQBMRBZBSXQZCA-UHFFFAOYSA-N
XLogP0.92
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-morpholin-4-yl-4-oxobutyl)isoindole-1,3-dione?
The IUPAC name of 2-(4-morpholin-4-yl-4-oxobutyl)isoindole-1,3-dione (CID 582363) is 2-(4-morpholin-4-yl-4-oxobutyl)isoindole-1,3-dione.
What is the SMILES notation for 2-(4-morpholin-4-yl-4-oxobutyl)isoindole-1,3-dione?
The canonical SMILES for 2-(4-morpholin-4-yl-4-oxobutyl)isoindole-1,3-dione is O=C(CCCN1C(=O)c2ccccc2C1=O)N1CCOCC1.
What is the InChIKey of 2-(4-morpholin-4-yl-4-oxobutyl)isoindole-1,3-dione?
The InChIKey is KQBMRBZBSXQZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c19-14(17-8-10-22-11-9-17)6-3-7-18-15(20)12-4-1-2-5-13(12)16(18)21/h1-2,4-5H,3,6-11H2.
What are the key properties of 2-(4-morpholin-4-yl-4-oxobutyl)isoindole-1,3-dione?
2-(4-morpholin-4-yl-4-oxobutyl)isoindole-1,3-dione has a molecular weight of 302.33 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-yl-4-oxobutyl)isoindole-1,3-dione is sourced from PubChem (CID 582363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).