4-(1-hydroxyprop-2-enyl)morpholine-3,5-dione

C7H9NO4 — CID 70578770

IUPAC4-(1-hydroxyprop-2-enyl)morpholine-3,5-dione
SMILESC=CC(O)N1C(=O)COCC1=O
InChIInChI=1S/C7H9NO4/c1-2-5(9)8-6(10)3-12-4-7(8)11/h2,5,9H,1,3-4H2
InChIKeyCPQXGGGKCIVDLV-UHFFFAOYSA-N
MW171.15 g/mol
LogP-1.12
Rot. Bonds2

About 4-(1-hydroxyprop-2-enyl)morpholine-3,5-dione

4-(1-hydroxyprop-2-enyl)morpholine-3,5-dione (PubChem CID 70578770) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is 4-(1-hydroxyprop-2-enyl)morpholine-3,5-dione.

Molecular Properties

Compound Name4-(1-hydroxyprop-2-enyl)morpholine-3,5-dione
PubChem CID70578770
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name4-(1-hydroxyprop-2-enyl)morpholine-3,5-dione
SMILESC=CC(O)N1C(=O)COCC1=O
InChIInChI=1S/C7H9NO4/c1-2-5(9)8-6(10)3-12-4-7(8)11/h2,5,9H,1,3-4H2
InChIKeyCPQXGGGKCIVDLV-UHFFFAOYSA-N
XLogP-1.12
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-1.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxyprop-2-enyl)morpholine-3,5-dione?
The IUPAC name of 4-(1-hydroxyprop-2-enyl)morpholine-3,5-dione (CID 70578770) is 4-(1-hydroxyprop-2-enyl)morpholine-3,5-dione.
What is the SMILES notation for 4-(1-hydroxyprop-2-enyl)morpholine-3,5-dione?
The canonical SMILES for 4-(1-hydroxyprop-2-enyl)morpholine-3,5-dione is C=CC(O)N1C(=O)COCC1=O.
What is the InChIKey of 4-(1-hydroxyprop-2-enyl)morpholine-3,5-dione?
The InChIKey is CPQXGGGKCIVDLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO4/c1-2-5(9)8-6(10)3-12-4-7(8)11/h2,5,9H,1,3-4H2.
What are the key properties of 4-(1-hydroxyprop-2-enyl)morpholine-3,5-dione?
4-(1-hydroxyprop-2-enyl)morpholine-3,5-dione has a molecular weight of 171.15 g/mol, XLogP of -1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxyprop-2-enyl)morpholine-3,5-dione is sourced from PubChem (CID 70578770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).