4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione

C11H9NO5 — CID 55237902

IUPAC4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione
SMILESO=C1CN(c2ccc3c(c2)OCO3)CC(=O)O1
InChIInChI=1S/C11H9NO5/c13-10-4-12(5-11(14)17-10)7-1-2-8-9(3-7)16-6-15-8/h1-3H,4-6H2
InChIKeyOROUJELFXUNJHR-UHFFFAOYSA-N
MW235.19 g/mol
LogP0.31
Rot. Bonds1

About 4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione

4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione (PubChem CID 55237902) has the molecular formula C11H9NO5 and a molecular weight of 235.19 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione
PubChem CID55237902
Molecular FormulaC11H9NO5
Molecular Weight235.19 g/mol
Exact Mass235.05
IUPAC Name4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione
SMILESO=C1CN(c2ccc3c(c2)OCO3)CC(=O)O1
InChIInChI=1S/C11H9NO5/c13-10-4-12(5-11(14)17-10)7-1-2-8-9(3-7)16-6-15-8/h1-3H,4-6H2
InChIKeyOROUJELFXUNJHR-UHFFFAOYSA-N
XLogP0.31
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione (CID 55237902) is 4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione is O=C1CN(c2ccc3c(c2)OCO3)CC(=O)O1.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione?
The InChIKey is OROUJELFXUNJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5/c13-10-4-12(5-11(14)17-10)7-1-2-8-9(3-7)16-6-15-8/h1-3H,4-6H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione?
4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione has a molecular weight of 235.19 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)morpholine-2,6-dione is sourced from PubChem (CID 55237902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).