4-benzylmorpholine-3,5-dione

C11H11NO3 — CID 1214546

IUPAC4-benzylmorpholine-3,5-dione
SMILESO=C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C11H11NO3/c13-10-7-15-8-11(14)12(10)6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyODSXNMYZUULGAE-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.57
Rot. Bonds2

About 4-benzylmorpholine-3,5-dione

4-benzylmorpholine-3,5-dione (PubChem CID 1214546) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-benzylmorpholine-3,5-dione.

Molecular Properties

Compound Name4-benzylmorpholine-3,5-dione
PubChem CID1214546
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-benzylmorpholine-3,5-dione
SMILESO=C1COCC(=O)N1Cc1ccccc1
InChIInChI=1S/C11H11NO3/c13-10-7-15-8-11(14)12(10)6-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyODSXNMYZUULGAE-UHFFFAOYSA-N
XLogP0.57
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-benzylmorpholine-3,5-dione?
The IUPAC name of 4-benzylmorpholine-3,5-dione (CID 1214546) is 4-benzylmorpholine-3,5-dione.
What is the SMILES notation for 4-benzylmorpholine-3,5-dione?
The canonical SMILES for 4-benzylmorpholine-3,5-dione is O=C1COCC(=O)N1Cc1ccccc1.
What is the InChIKey of 4-benzylmorpholine-3,5-dione?
The InChIKey is ODSXNMYZUULGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-7-15-8-11(14)12(10)6-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 4-benzylmorpholine-3,5-dione?
4-benzylmorpholine-3,5-dione has a molecular weight of 205.21 g/mol, XLogP of 0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylmorpholine-3,5-dione is sourced from PubChem (CID 1214546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).