4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione

C10H15NO5 — CID 106103094

IUPAC4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione
SMILESCC1OCCC1(O)CN1C(=O)COCC1=O
InChIInChI=1S/C10H15NO5/c1-7-10(14,2-3-16-7)6-11-8(12)4-15-5-9(11)13/h7,14H,2-6H2,1H3
InChIKeyROIUKXSXKVRYMC-UHFFFAOYSA-N
MW229.23 g/mol
LogP-1.09
Rot. Bonds2

About 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione

4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione (PubChem CID 106103094) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione
PubChem CID106103094
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione
SMILESCC1OCCC1(O)CN1C(=O)COCC1=O
InChIInChI=1S/C10H15NO5/c1-7-10(14,2-3-16-7)6-11-8(12)4-15-5-9(11)13/h7,14H,2-6H2,1H3
InChIKeyROIUKXSXKVRYMC-UHFFFAOYSA-N
XLogP-1.09
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-1.09
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 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione?
The IUPAC name of 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione (CID 106103094) is 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione?
The canonical SMILES for 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione is CC1OCCC1(O)CN1C(=O)COCC1=O.
What is the InChIKey of 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione?
The InChIKey is ROIUKXSXKVRYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-7-10(14,2-3-16-7)6-11-8(12)4-15-5-9(11)13/h7,14H,2-6H2,1H3.
What are the key properties of 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione?
4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione has a molecular weight of 229.23 g/mol, XLogP of -1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-2-methyloxolan-3-yl)methyl]morpholine-3,5-dione is sourced from PubChem (CID 106103094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).