4-prop-2-enylmorpholine-2,3-dione

C7H9NO3 — CID 66697402

IUPAC4-prop-2-enylmorpholine-2,3-dione
SMILESC=CCN1CCOC(=O)C1=O
InChIInChI=1S/C7H9NO3/c1-2-3-8-4-5-11-7(10)6(8)9/h2H,1,3-5H2
InChIKeyRWBOUQZOAJZTDB-UHFFFAOYSA-N
MW155.15 g/mol
LogP-0.44
Rot. Bonds2

About 4-prop-2-enylmorpholine-2,3-dione

4-prop-2-enylmorpholine-2,3-dione (PubChem CID 66697402) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is 4-prop-2-enylmorpholine-2,3-dione.

Molecular Properties

Compound Name4-prop-2-enylmorpholine-2,3-dione
PubChem CID66697402
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name4-prop-2-enylmorpholine-2,3-dione
SMILESC=CCN1CCOC(=O)C1=O
InChIInChI=1S/C7H9NO3/c1-2-3-8-4-5-11-7(10)6(8)9/h2H,1,3-5H2
InChIKeyRWBOUQZOAJZTDB-UHFFFAOYSA-N
XLogP-0.44
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylmorpholine-2,3-dione?
The IUPAC name of 4-prop-2-enylmorpholine-2,3-dione (CID 66697402) is 4-prop-2-enylmorpholine-2,3-dione.
What is the SMILES notation for 4-prop-2-enylmorpholine-2,3-dione?
The canonical SMILES for 4-prop-2-enylmorpholine-2,3-dione is C=CCN1CCOC(=O)C1=O.
What is the InChIKey of 4-prop-2-enylmorpholine-2,3-dione?
The InChIKey is RWBOUQZOAJZTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO3/c1-2-3-8-4-5-11-7(10)6(8)9/h2H,1,3-5H2.
What are the key properties of 4-prop-2-enylmorpholine-2,3-dione?
4-prop-2-enylmorpholine-2,3-dione has a molecular weight of 155.15 g/mol, XLogP of -0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylmorpholine-2,3-dione is sourced from PubChem (CID 66697402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).