1-benzofuran-2-yl(morpholin-4-yl)methanone

C13H13NO3 — CID 3819793

IUPAC1-benzofuran-2-yl(morpholin-4-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCOCC1
InChIInChI=1S/C13H13NO3/c15-13(14-5-7-16-8-6-14)12-9-10-3-1-2-4-11(10)17-12/h1-4,9H,5-8H2
InChIKeyMXPIRBXHECCCAZ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.91
Rot. Bonds1

About 1-benzofuran-2-yl(morpholin-4-yl)methanone

1-benzofuran-2-yl(morpholin-4-yl)methanone (PubChem CID 3819793) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-benzofuran-2-yl(morpholin-4-yl)methanone.

Molecular Properties

Compound Name1-benzofuran-2-yl(morpholin-4-yl)methanone
PubChem CID3819793
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-benzofuran-2-yl(morpholin-4-yl)methanone
SMILESO=C(c1cc2ccccc2o1)N1CCOCC1
InChIInChI=1S/C13H13NO3/c15-13(14-5-7-16-8-6-14)12-9-10-3-1-2-4-11(10)17-12/h1-4,9H,5-8H2
InChIKeyMXPIRBXHECCCAZ-UHFFFAOYSA-N
XLogP1.91
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-yl(morpholin-4-yl)methanone?
The IUPAC name of 1-benzofuran-2-yl(morpholin-4-yl)methanone (CID 3819793) is 1-benzofuran-2-yl(morpholin-4-yl)methanone.
What is the SMILES notation for 1-benzofuran-2-yl(morpholin-4-yl)methanone?
The canonical SMILES for 1-benzofuran-2-yl(morpholin-4-yl)methanone is O=C(c1cc2ccccc2o1)N1CCOCC1.
What is the InChIKey of 1-benzofuran-2-yl(morpholin-4-yl)methanone?
The InChIKey is MXPIRBXHECCCAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c15-13(14-5-7-16-8-6-14)12-9-10-3-1-2-4-11(10)17-12/h1-4,9H,5-8H2.
What are the key properties of 1-benzofuran-2-yl(morpholin-4-yl)methanone?
1-benzofuran-2-yl(morpholin-4-yl)methanone has a molecular weight of 231.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-yl(morpholin-4-yl)methanone is sourced from PubChem (CID 3819793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).