1-morpholin-4-yl-3-phenylpropan-2-one

C13H17NO2 — CID 43794380

IUPAC1-morpholin-4-yl-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CN1CCOCC1
InChIInChI=1S/C13H17NO2/c15-13(10-12-4-2-1-3-5-12)11-14-6-8-16-9-7-14/h1-5H,6-11H2
InChIKeyXVSPZPZMCSKROM-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.13
Rot. Bonds4

About 1-morpholin-4-yl-3-phenylpropan-2-one

1-morpholin-4-yl-3-phenylpropan-2-one (PubChem CID 43794380) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-phenylpropan-2-one
PubChem CID43794380
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-morpholin-4-yl-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)CN1CCOCC1
InChIInChI=1S/C13H17NO2/c15-13(10-12-4-2-1-3-5-12)11-14-6-8-16-9-7-14/h1-5H,6-11H2
InChIKeyXVSPZPZMCSKROM-UHFFFAOYSA-N
XLogP1.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-phenylpropan-2-one?
The IUPAC name of 1-morpholin-4-yl-3-phenylpropan-2-one (CID 43794380) is 1-morpholin-4-yl-3-phenylpropan-2-one.
What is the SMILES notation for 1-morpholin-4-yl-3-phenylpropan-2-one?
The canonical SMILES for 1-morpholin-4-yl-3-phenylpropan-2-one is O=C(Cc1ccccc1)CN1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-phenylpropan-2-one?
The InChIKey is XVSPZPZMCSKROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-13(10-12-4-2-1-3-5-12)11-14-6-8-16-9-7-14/h1-5H,6-11H2.
What are the key properties of 1-morpholin-4-yl-3-phenylpropan-2-one?
1-morpholin-4-yl-3-phenylpropan-2-one has a molecular weight of 219.28 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-phenylpropan-2-one is sourced from PubChem (CID 43794380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).