3-morpholin-4-yl-3H-2-benzofuran-1-one

C12H13NO3 — CID 3498855

IUPAC3-morpholin-4-yl-3H-2-benzofuran-1-one
SMILESO=C1OC(N2CCOCC2)c2ccccc21
InChIInChI=1S/C12H13NO3/c14-12-10-4-2-1-3-9(10)11(16-12)13-5-7-15-8-6-13/h1-4,11H,5-8H2
InChIKeyJYGXJJQPHGRKRZ-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.19
Rot. Bonds1

About 3-morpholin-4-yl-3H-2-benzofuran-1-one

3-morpholin-4-yl-3H-2-benzofuran-1-one (PubChem CID 3498855) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 3-morpholin-4-yl-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name3-morpholin-4-yl-3H-2-benzofuran-1-one
PubChem CID3498855
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name3-morpholin-4-yl-3H-2-benzofuran-1-one
SMILESO=C1OC(N2CCOCC2)c2ccccc21
InChIInChI=1S/C12H13NO3/c14-12-10-4-2-1-3-9(10)11(16-12)13-5-7-15-8-6-13/h1-4,11H,5-8H2
InChIKeyJYGXJJQPHGRKRZ-UHFFFAOYSA-N
XLogP1.19
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-3H-2-benzofuran-1-one?
The IUPAC name of 3-morpholin-4-yl-3H-2-benzofuran-1-one (CID 3498855) is 3-morpholin-4-yl-3H-2-benzofuran-1-one.
What is the SMILES notation for 3-morpholin-4-yl-3H-2-benzofuran-1-one?
The canonical SMILES for 3-morpholin-4-yl-3H-2-benzofuran-1-one is O=C1OC(N2CCOCC2)c2ccccc21.
What is the InChIKey of 3-morpholin-4-yl-3H-2-benzofuran-1-one?
The InChIKey is JYGXJJQPHGRKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c14-12-10-4-2-1-3-9(10)11(16-12)13-5-7-15-8-6-13/h1-4,11H,5-8H2.
What are the key properties of 3-morpholin-4-yl-3H-2-benzofuran-1-one?
3-morpholin-4-yl-3H-2-benzofuran-1-one has a molecular weight of 219.24 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-3H-2-benzofuran-1-one is sourced from PubChem (CID 3498855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).