4-phenylmorpholin-3-one

C10H11NO2 — CID 5153080

IUPAC4-phenylmorpholin-3-one
SMILESO=C1COCCN1c1ccccc1
InChIInChI=1S/C10H11NO2/c12-10-8-13-7-6-11(10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeySIWXCJHUZAEIAE-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.05
Rot. Bonds1

About 4-phenylmorpholin-3-one

4-phenylmorpholin-3-one (PubChem CID 5153080) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 4-phenylmorpholin-3-one.

Molecular Properties

Compound Name4-phenylmorpholin-3-one
PubChem CID5153080
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name4-phenylmorpholin-3-one
SMILESO=C1COCCN1c1ccccc1
InChIInChI=1S/C10H11NO2/c12-10-8-13-7-6-11(10)9-4-2-1-3-5-9/h1-5H,6-8H2
InChIKeySIWXCJHUZAEIAE-UHFFFAOYSA-N
XLogP1.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmorpholin-3-one?
The IUPAC name of 4-phenylmorpholin-3-one (CID 5153080) is 4-phenylmorpholin-3-one.
What is the SMILES notation for 4-phenylmorpholin-3-one?
The canonical SMILES for 4-phenylmorpholin-3-one is O=C1COCCN1c1ccccc1.
What is the InChIKey of 4-phenylmorpholin-3-one?
The InChIKey is SIWXCJHUZAEIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10-8-13-7-6-11(10)9-4-2-1-3-5-9/h1-5H,6-8H2.
What are the key properties of 4-phenylmorpholin-3-one?
4-phenylmorpholin-3-one has a molecular weight of 177.20 g/mol, XLogP of 1.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmorpholin-3-one is sourced from PubChem (CID 5153080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).