5-phenylmorpholin-3-one

C10H11NO2 — CID 23071538

IUPAC5-phenylmorpholin-3-one
SMILESO=C1COCC(c2ccccc2)N1
InChIInChI=1S/C10H11NO2/c12-10-7-13-6-9(11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
InChIKeyGXDVCRCMLDJGAS-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.87
Rot. Bonds1

About 5-phenylmorpholin-3-one

5-phenylmorpholin-3-one (PubChem CID 23071538) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 5-phenylmorpholin-3-one.

Molecular Properties

Compound Name5-phenylmorpholin-3-one
PubChem CID23071538
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name5-phenylmorpholin-3-one
SMILESO=C1COCC(c2ccccc2)N1
InChIInChI=1S/C10H11NO2/c12-10-7-13-6-9(11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12)
InChIKeyGXDVCRCMLDJGAS-UHFFFAOYSA-N
XLogP0.87
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenylmorpholin-3-one?
The IUPAC name of 5-phenylmorpholin-3-one (CID 23071538) is 5-phenylmorpholin-3-one.
What is the SMILES notation for 5-phenylmorpholin-3-one?
The canonical SMILES for 5-phenylmorpholin-3-one is O=C1COCC(c2ccccc2)N1.
What is the InChIKey of 5-phenylmorpholin-3-one?
The InChIKey is GXDVCRCMLDJGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10-7-13-6-9(11-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12).
What are the key properties of 5-phenylmorpholin-3-one?
5-phenylmorpholin-3-one has a molecular weight of 177.20 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylmorpholin-3-one is sourced from PubChem (CID 23071538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).