1-morpholin-4-yl-2-phenylethane-1,2-dione

C12H13NO3 — CID 11252960

IUPAC1-morpholin-4-yl-2-phenylethane-1,2-dione
SMILESO=C(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C12H13NO3/c14-11(10-4-2-1-3-5-10)12(15)13-6-8-16-9-7-13/h1-5H,6-9H2
InChIKeyXEWHOFJPSBGUIU-UHFFFAOYSA-N
MW219.24 g/mol
LogP0.73
Rot. Bonds2

About 1-morpholin-4-yl-2-phenylethane-1,2-dione

1-morpholin-4-yl-2-phenylethane-1,2-dione (PubChem CID 11252960) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-phenylethane-1,2-dione.

Molecular Properties

Compound Name1-morpholin-4-yl-2-phenylethane-1,2-dione
PubChem CID11252960
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-morpholin-4-yl-2-phenylethane-1,2-dione
SMILESO=C(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C12H13NO3/c14-11(10-4-2-1-3-5-10)12(15)13-6-8-16-9-7-13/h1-5H,6-9H2
InChIKeyXEWHOFJPSBGUIU-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
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 1-morpholin-4-yl-2-phenylethane-1,2-dione?
The IUPAC name of 1-morpholin-4-yl-2-phenylethane-1,2-dione (CID 11252960) is 1-morpholin-4-yl-2-phenylethane-1,2-dione.
What is the SMILES notation for 1-morpholin-4-yl-2-phenylethane-1,2-dione?
The canonical SMILES for 1-morpholin-4-yl-2-phenylethane-1,2-dione is O=C(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 1-morpholin-4-yl-2-phenylethane-1,2-dione?
The InChIKey is XEWHOFJPSBGUIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-11(10-4-2-1-3-5-10)12(15)13-6-8-16-9-7-13/h1-5H,6-9H2.
What are the key properties of 1-morpholin-4-yl-2-phenylethane-1,2-dione?
1-morpholin-4-yl-2-phenylethane-1,2-dione has a molecular weight of 219.24 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-phenylethane-1,2-dione is sourced from PubChem (CID 11252960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).