4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione

C11H11NO4 — CID 61328558

IUPAC4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1c1cccc(CO)c1
InChIInChI=1S/C11H11NO4/c13-5-8-2-1-3-9(4-8)12-10(14)6-16-7-11(12)15/h1-4,13H,5-7H2
InChIKeyWZIWDSHGKKYSDX-UHFFFAOYSA-N
MW221.21 g/mol
LogP0.07
Rot. Bonds2

About 4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione

4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione (PubChem CID 61328558) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is 4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione.

Molecular Properties

Compound Name4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione
PubChem CID61328558
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Name4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione
SMILESO=C1COCC(=O)N1c1cccc(CO)c1
InChIInChI=1S/C11H11NO4/c13-5-8-2-1-3-9(4-8)12-10(14)6-16-7-11(12)15/h1-4,13H,5-7H2
InChIKeyWZIWDSHGKKYSDX-UHFFFAOYSA-N
XLogP0.07
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione?
The IUPAC name of 4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione (CID 61328558) is 4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione.
What is the SMILES notation for 4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione?
The canonical SMILES for 4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione is O=C1COCC(=O)N1c1cccc(CO)c1.
What is the InChIKey of 4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione?
The InChIKey is WZIWDSHGKKYSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c13-5-8-2-1-3-9(4-8)12-10(14)6-16-7-11(12)15/h1-4,13H,5-7H2.
What are the key properties of 4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione?
4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione has a molecular weight of 221.21 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(hydroxymethyl)phenyl]morpholine-3,5-dione is sourced from PubChem (CID 61328558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).