2-morpholin-4-yl-1-phenylpropan-1-one

C13H17NO2 — CID 2802217

IUPAC2-morpholin-4-yl-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H17NO2/c1-11(14-7-9-16-10-8-14)13(15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyPVBUTZWGEJHWSJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.59
Rot. Bonds3

About 2-morpholin-4-yl-1-phenylpropan-1-one

2-morpholin-4-yl-1-phenylpropan-1-one (PubChem CID 2802217) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 2-morpholin-4-yl-1-phenylpropan-1-one.

Molecular Properties

Compound Name2-morpholin-4-yl-1-phenylpropan-1-one
PubChem CID2802217
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name2-morpholin-4-yl-1-phenylpropan-1-one
SMILESCC(C(=O)c1ccccc1)N1CCOCC1
InChIInChI=1S/C13H17NO2/c1-11(14-7-9-16-10-8-14)13(15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyPVBUTZWGEJHWSJ-UHFFFAOYSA-N
XLogP1.59
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1-phenylpropan-1-one?
The IUPAC name of 2-morpholin-4-yl-1-phenylpropan-1-one (CID 2802217) is 2-morpholin-4-yl-1-phenylpropan-1-one.
What is the SMILES notation for 2-morpholin-4-yl-1-phenylpropan-1-one?
The canonical SMILES for 2-morpholin-4-yl-1-phenylpropan-1-one is CC(C(=O)c1ccccc1)N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-1-phenylpropan-1-one?
The InChIKey is PVBUTZWGEJHWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-11(14-7-9-16-10-8-14)13(15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of 2-morpholin-4-yl-1-phenylpropan-1-one?
2-morpholin-4-yl-1-phenylpropan-1-one has a molecular weight of 219.28 g/mol, XLogP of 1.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1-phenylpropan-1-one is sourced from PubChem (CID 2802217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).