4-(2-ethylphenyl)morpholine-2,3-dione

C12H13NO3 — CID 117005510

IUPAC4-(2-ethylphenyl)morpholine-2,3-dione
SMILESCCc1ccccc1N1CCOC(=O)C1=O
InChIInChI=1S/C12H13NO3/c1-2-9-5-3-4-6-10(9)13-7-8-16-12(15)11(13)14/h3-6H,2,7-8H2,1H3
InChIKeyWDBLHYNLXNGNBN-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.14
Rot. Bonds2

About 4-(2-ethylphenyl)morpholine-2,3-dione

4-(2-ethylphenyl)morpholine-2,3-dione (PubChem CID 117005510) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 4-(2-ethylphenyl)morpholine-2,3-dione.

Molecular Properties

Compound Name4-(2-ethylphenyl)morpholine-2,3-dione
PubChem CID117005510
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name4-(2-ethylphenyl)morpholine-2,3-dione
SMILESCCc1ccccc1N1CCOC(=O)C1=O
InChIInChI=1S/C12H13NO3/c1-2-9-5-3-4-6-10(9)13-7-8-16-12(15)11(13)14/h3-6H,2,7-8H2,1H3
InChIKeyWDBLHYNLXNGNBN-UHFFFAOYSA-N
XLogP1.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.14
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-ethylphenyl)morpholine-2,3-dione?
The IUPAC name of 4-(2-ethylphenyl)morpholine-2,3-dione (CID 117005510) is 4-(2-ethylphenyl)morpholine-2,3-dione.
What is the SMILES notation for 4-(2-ethylphenyl)morpholine-2,3-dione?
The canonical SMILES for 4-(2-ethylphenyl)morpholine-2,3-dione is CCc1ccccc1N1CCOC(=O)C1=O.
What is the InChIKey of 4-(2-ethylphenyl)morpholine-2,3-dione?
The InChIKey is WDBLHYNLXNGNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-2-9-5-3-4-6-10(9)13-7-8-16-12(15)11(13)14/h3-6H,2,7-8H2,1H3.
What are the key properties of 4-(2-ethylphenyl)morpholine-2,3-dione?
4-(2-ethylphenyl)morpholine-2,3-dione has a molecular weight of 219.24 g/mol, XLogP of 1.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylphenyl)morpholine-2,3-dione is sourced from PubChem (CID 117005510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).