4-(2-propan-2-ylphenyl)morpholine-2,3-dione

C13H15NO3 — CID 117005513

IUPAC4-(2-propan-2-ylphenyl)morpholine-2,3-dione
SMILESCC(C)c1ccccc1N1CCOC(=O)C1=O
InChIInChI=1S/C13H15NO3/c1-9(2)10-5-3-4-6-11(10)14-7-8-17-13(16)12(14)15/h3-6,9H,7-8H2,1-2H3
InChIKeyVQJDJGQIYAXGHN-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.70
Rot. Bonds2

About 4-(2-propan-2-ylphenyl)morpholine-2,3-dione

4-(2-propan-2-ylphenyl)morpholine-2,3-dione (PubChem CID 117005513) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(2-propan-2-ylphenyl)morpholine-2,3-dione.

Molecular Properties

Compound Name4-(2-propan-2-ylphenyl)morpholine-2,3-dione
PubChem CID117005513
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name4-(2-propan-2-ylphenyl)morpholine-2,3-dione
SMILESCC(C)c1ccccc1N1CCOC(=O)C1=O
InChIInChI=1S/C13H15NO3/c1-9(2)10-5-3-4-6-11(10)14-7-8-17-13(16)12(14)15/h3-6,9H,7-8H2,1-2H3
InChIKeyVQJDJGQIYAXGHN-UHFFFAOYSA-N
XLogP1.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-propan-2-ylphenyl)morpholine-2,3-dione?
The IUPAC name of 4-(2-propan-2-ylphenyl)morpholine-2,3-dione (CID 117005513) is 4-(2-propan-2-ylphenyl)morpholine-2,3-dione.
What is the SMILES notation for 4-(2-propan-2-ylphenyl)morpholine-2,3-dione?
The canonical SMILES for 4-(2-propan-2-ylphenyl)morpholine-2,3-dione is CC(C)c1ccccc1N1CCOC(=O)C1=O.
What is the InChIKey of 4-(2-propan-2-ylphenyl)morpholine-2,3-dione?
The InChIKey is VQJDJGQIYAXGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9(2)10-5-3-4-6-11(10)14-7-8-17-13(16)12(14)15/h3-6,9H,7-8H2,1-2H3.
What are the key properties of 4-(2-propan-2-ylphenyl)morpholine-2,3-dione?
4-(2-propan-2-ylphenyl)morpholine-2,3-dione has a molecular weight of 233.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-propan-2-ylphenyl)morpholine-2,3-dione is sourced from PubChem (CID 117005513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).