4-(1-hydroxyethyl)morpholine-2,3-dione

C6H9NO4 — CID 22917926

IUPAC4-(1-hydroxyethyl)morpholine-2,3-dione
SMILESCC(O)N1CCOC(=O)C1=O
InChIInChI=1S/C6H9NO4/c1-4(8)7-2-3-11-6(10)5(7)9/h4,8H,2-3H2,1H3
InChIKeyAHFIAIGEQBTTAB-UHFFFAOYSA-N
MW159.14 g/mol
LogP-1.29
Rot. Bonds1

About 4-(1-hydroxyethyl)morpholine-2,3-dione

4-(1-hydroxyethyl)morpholine-2,3-dione (PubChem CID 22917926) has the molecular formula C6H9NO4 and a molecular weight of 159.14 g/mol. Its IUPAC name is 4-(1-hydroxyethyl)morpholine-2,3-dione.

Molecular Properties

Compound Name4-(1-hydroxyethyl)morpholine-2,3-dione
PubChem CID22917926
Molecular FormulaC6H9NO4
Molecular Weight159.14 g/mol
Exact Mass159.05
IUPAC Name4-(1-hydroxyethyl)morpholine-2,3-dione
SMILESCC(O)N1CCOC(=O)C1=O
InChIInChI=1S/C6H9NO4/c1-4(8)7-2-3-11-6(10)5(7)9/h4,8H,2-3H2,1H3
InChIKeyAHFIAIGEQBTTAB-UHFFFAOYSA-N
XLogP-1.29
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.14
LogP ≤ 5-1.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyethyl)morpholine-2,3-dione?
The IUPAC name of 4-(1-hydroxyethyl)morpholine-2,3-dione (CID 22917926) is 4-(1-hydroxyethyl)morpholine-2,3-dione.
What is the SMILES notation for 4-(1-hydroxyethyl)morpholine-2,3-dione?
The canonical SMILES for 4-(1-hydroxyethyl)morpholine-2,3-dione is CC(O)N1CCOC(=O)C1=O.
What is the InChIKey of 4-(1-hydroxyethyl)morpholine-2,3-dione?
The InChIKey is AHFIAIGEQBTTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO4/c1-4(8)7-2-3-11-6(10)5(7)9/h4,8H,2-3H2,1H3.
What are the key properties of 4-(1-hydroxyethyl)morpholine-2,3-dione?
4-(1-hydroxyethyl)morpholine-2,3-dione has a molecular weight of 159.14 g/mol, XLogP of -1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyethyl)morpholine-2,3-dione is sourced from PubChem (CID 22917926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).