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

C13H17NO2 — CID 11031349

IUPAC1-morpholin-4-yl-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-11(12-5-3-2-4-6-12)13(15)14-7-9-16-10-8-14/h2-6,11H,7-10H2,1H3
InChIKeyCHJCRULVTJMCMF-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.65
Rot. Bonds2

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

1-morpholin-4-yl-2-phenylpropan-1-one (PubChem CID 11031349) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-phenylpropan-1-one
PubChem CID11031349
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-morpholin-4-yl-2-phenylpropan-1-one
SMILESCC(C(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-11(12-5-3-2-4-6-12)13(15)14-7-9-16-10-8-14/h2-6,11H,7-10H2,1H3
InChIKeyCHJCRULVTJMCMF-UHFFFAOYSA-N
XLogP1.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-phenylpropan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-phenylpropan-1-one (CID 11031349) is 1-morpholin-4-yl-2-phenylpropan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-phenylpropan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-phenylpropan-1-one is CC(C(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 1-morpholin-4-yl-2-phenylpropan-1-one?
The InChIKey is CHJCRULVTJMCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-11(12-5-3-2-4-6-12)13(15)14-7-9-16-10-8-14/h2-6,11H,7-10H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-phenylpropan-1-one?
1-morpholin-4-yl-2-phenylpropan-1-one has a molecular weight of 219.28 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-phenylpropan-1-one is sourced from PubChem (CID 11031349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).