3-morpholin-4-ium-4-yl-1-phenylpropan-1-one chloride

C13H18ClNO2 — CID 10562989

IUPAC3-morpholin-4-ium-4-yl-1-phenylpropan-1-one chloride
SMILESO=C(CC[NH+]1CCOCC1)c1ccccc1.[Cl-]
InChIInChI=1S/C13H17NO2.ClH/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14;/h1-5H,6-11H2;1H
InChIKeyBEUAFINDWSQCGS-UHFFFAOYSA-N
MW255.75 g/mol
LogP-2.82
Rot. Bonds4

About 3-morpholin-4-ium-4-yl-1-phenylpropan-1-one chloride

3-morpholin-4-ium-4-yl-1-phenylpropan-1-one chloride (PubChem CID 10562989) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-morpholin-4-ium-4-yl-1-phenylpropan-1-one chloride.

Molecular Properties

Compound Name3-morpholin-4-ium-4-yl-1-phenylpropan-1-one chloride
PubChem CID10562989
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name3-morpholin-4-ium-4-yl-1-phenylpropan-1-one chloride
SMILESO=C(CC[NH+]1CCOCC1)c1ccccc1.[Cl-]
InChIInChI=1S/C13H17NO2.ClH/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14;/h1-5H,6-11H2;1H
InChIKeyBEUAFINDWSQCGS-UHFFFAOYSA-N
XLogP-2.82
TPSA30.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 5-2.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-ium-4-yl-1-phenylpropan-1-one chloride?
The IUPAC name of 3-morpholin-4-ium-4-yl-1-phenylpropan-1-one chloride (CID 10562989) is 3-morpholin-4-ium-4-yl-1-phenylpropan-1-one chloride.
What is the SMILES notation for 3-morpholin-4-ium-4-yl-1-phenylpropan-1-one chloride?
The canonical SMILES for 3-morpholin-4-ium-4-yl-1-phenylpropan-1-one chloride is O=C(CC[NH+]1CCOCC1)c1ccccc1.[Cl-].
What is the InChIKey of 3-morpholin-4-ium-4-yl-1-phenylpropan-1-one chloride?
The InChIKey is BEUAFINDWSQCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.ClH/c15-13(12-4-2-1-3-5-12)6-7-14-8-10-16-11-9-14;/h1-5H,6-11H2;1H.
What are the key properties of 3-morpholin-4-ium-4-yl-1-phenylpropan-1-one chloride?
3-morpholin-4-ium-4-yl-1-phenylpropan-1-one chloride has a molecular weight of 255.75 g/mol, XLogP of -2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-ium-4-yl-1-phenylpropan-1-one chloride is sourced from PubChem (CID 10562989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).