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

C11H9NO5 — CID 117005555

IUPAC4-(1,3-benzodioxol-5-yl)morpholine-2,3-dione
SMILESO=C1OCCN(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C11H9NO5/c13-10-11(14)15-4-3-12(10)7-1-2-8-9(5-7)17-6-16-8/h1-2,5H,3-4,6H2
InChIKeyVCSGVWGAGNIQKJ-UHFFFAOYSA-N
MW235.19 g/mol
LogP0.31
Rot. Bonds1

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

4-(1,3-benzodioxol-5-yl)morpholine-2,3-dione (PubChem CID 117005555) 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-2,3-dione.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)morpholine-2,3-dione
PubChem CID117005555
Molecular FormulaC11H9NO5
Molecular Weight235.19 g/mol
Exact Mass235.05
IUPAC Name4-(1,3-benzodioxol-5-yl)morpholine-2,3-dione
SMILESO=C1OCCN(c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C11H9NO5/c13-10-11(14)15-4-3-12(10)7-1-2-8-9(5-7)17-6-16-8/h1-2,5H,3-4,6H2
InChIKeyVCSGVWGAGNIQKJ-UHFFFAOYSA-N
XLogP0.31
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
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 ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1,3-benzodioxol-5-yl)-4-methylpiperazine-2,3-dione
CID 117026437
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine-2,3-dione
CID 54972758
1-(1,3-benzodioxol-5-yl)-4-hydroxypiperidin-2-one
CID 117014053
1-(1,3-benzodioxol-5-yl)-1,3-diazinan-2-one
CID 115370915
(4R)-1-(1,3-benzodioxol-5-yl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 31857784
(4S)-1-(1,3-benzodioxol-5-yl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 31857788
2-(1,3-benzodioxol-5-yl)-3a,4,7,7a-tetrahydro-4,7-epoxyisoindole-1,3-dione
CID 4990142
1-(1,3-benzodioxol-5-yl)-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 84503528
1-(1,3-benzodioxol-5-yl)-4-[(4-chlorophenyl)methyl]piperazine-2,3-dione
CID 167997631
1-(1,3-benzodioxol-5-yl)piperidin-4-one
CID 2728521
(1R,2R,6R,7R,8S,10R)-4-(1,3-benzodioxol-5-yl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 99721084
1-(1,3-benzodioxol-5-yl)-3-methylpiperazin-2-one
CID 24716105

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)morpholine-2,3-dione?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)morpholine-2,3-dione (CID 117005555) is 4-(1,3-benzodioxol-5-yl)morpholine-2,3-dione.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)morpholine-2,3-dione?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)morpholine-2,3-dione is O=C1OCCN(c2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)morpholine-2,3-dione?
The InChIKey is VCSGVWGAGNIQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5/c13-10-11(14)15-4-3-12(10)7-1-2-8-9(5-7)17-6-16-8/h1-2,5H,3-4,6H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)morpholine-2,3-dione?
4-(1,3-benzodioxol-5-yl)morpholine-2,3-dione has a molecular weight of 235.19 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)morpholine-2,3-dione is sourced from PubChem (CID 117005555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).