4-benzylmorpholine-2,3-dione

C11H11NO3 — CID 3158764

IUPAC4-benzylmorpholine-2,3-dione
SMILESO=C1OCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C11H11NO3/c13-10-11(14)15-7-6-12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyZOYULESMFLWDHB-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.57
Rot. Bonds2

About 4-benzylmorpholine-2,3-dione

4-benzylmorpholine-2,3-dione (PubChem CID 3158764) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-benzylmorpholine-2,3-dione.

Molecular Properties

Compound Name4-benzylmorpholine-2,3-dione
PubChem CID3158764
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-benzylmorpholine-2,3-dione
SMILESO=C1OCCN(Cc2ccccc2)C1=O
InChIInChI=1S/C11H11NO3/c13-10-11(14)15-7-6-12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeyZOYULESMFLWDHB-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': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

4-Morpholineacetamide, N-(phenylmethyl)-
CID 2958814
Ethyl 2-(4-benzylpiperazin-1-yl)acetate
CID 5060109
4-Benzyl-2-hydroxymorpholin-3-one
CID 9942497
[2-[Benzyl(tert-butyl)amino]-2-oxoethyl] cyclopropanecarboxylate
CID 4445443
2,4-Oxazolidinedione, 3-benzyl-
CID 230350
Ethyl (4-benzylpiperidin-1-yl)(oxo)acetate
CID 3912049
Diethyl benzyliminodiacetate
CID 5235503
Ethyl 2-(benzyl((tert-butoxy)carbonyl)amino)acetate
CID 10565655
Ethyl 2-[hydroxy(1-phenylethyl)amino]-2-oxoacetate
CID 13738856
Acetamide, N-benzyl-2-morpholino-, hydrochloride
CID 3055386
Oxamic Acid/Ester, 32
CID 16112032
Ethyl oxo[(1-phenylethyl)amino]acetate
CID 3138898

Frequently Asked Questions

What is the IUPAC name of 4-benzylmorpholine-2,3-dione?
The IUPAC name of 4-benzylmorpholine-2,3-dione (CID 3158764) is 4-benzylmorpholine-2,3-dione.
What is the SMILES notation for 4-benzylmorpholine-2,3-dione?
The canonical SMILES for 4-benzylmorpholine-2,3-dione is O=C1OCCN(Cc2ccccc2)C1=O.
What is the InChIKey of 4-benzylmorpholine-2,3-dione?
The InChIKey is ZOYULESMFLWDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-10-11(14)15-7-6-12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 4-benzylmorpholine-2,3-dione?
4-benzylmorpholine-2,3-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-2,3-dione is sourced from PubChem (CID 3158764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).