3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one

C13H15NO3 — CID 134967697

IUPAC3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one
SMILESO=C1OC(CN2CCOCC2)c2ccccc21
InChIInChI=1S/C13H15NO3/c15-13-11-4-2-1-3-10(11)12(17-13)9-14-5-7-16-8-6-14/h1-4,12H,5-9H2
InChIKeyCLGGLWZEVGJKPI-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.23
Rot. Bonds2

About 3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one

3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one (PubChem CID 134967697) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one
PubChem CID134967697
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one
SMILESO=C1OC(CN2CCOCC2)c2ccccc21
InChIInChI=1S/C13H15NO3/c15-13-11-4-2-1-3-10(11)12(17-13)9-14-5-7-16-8-6-14/h1-4,12H,5-9H2
InChIKeyCLGGLWZEVGJKPI-UHFFFAOYSA-N
XLogP1.23
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one?
The IUPAC name of 3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one (CID 134967697) is 3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one?
The canonical SMILES for 3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one is O=C1OC(CN2CCOCC2)c2ccccc21.
What is the InChIKey of 3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one?
The InChIKey is CLGGLWZEVGJKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-13-11-4-2-1-3-10(11)12(17-13)9-14-5-7-16-8-6-14/h1-4,12H,5-9H2.
What are the key properties of 3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one?
3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one has a molecular weight of 233.27 g/mol, XLogP of 1.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethyl)-3H-2-benzofuran-1-one is sourced from PubChem (CID 134967697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).