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

C14H17NO3 — CID 134959260

IUPAC3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one
SMILESCC1(CN2CCOCC2)OC(=O)c2ccccc21
InChIInChI=1S/C14H17NO3/c1-14(10-15-6-8-17-9-7-15)12-5-3-2-4-11(12)13(16)18-14/h2-5H,6-10H2,1H3
InChIKeyQALQJAGCJZTFJH-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.40
Rot. Bonds2

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

3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one (PubChem CID 134959260) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one.

Molecular Properties

Compound Name3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one
PubChem CID134959260
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one
SMILESCC1(CN2CCOCC2)OC(=O)c2ccccc21
InChIInChI=1S/C14H17NO3/c1-14(10-15-6-8-17-9-7-15)12-5-3-2-4-11(12)13(16)18-14/h2-5H,6-10H2,1H3
InChIKeyQALQJAGCJZTFJH-UHFFFAOYSA-N
XLogP1.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one?
The IUPAC name of 3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one (CID 134959260) is 3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one.
What is the SMILES notation for 3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one?
The canonical SMILES for 3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one is CC1(CN2CCOCC2)OC(=O)c2ccccc21.
What is the InChIKey of 3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one?
The InChIKey is QALQJAGCJZTFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-14(10-15-6-8-17-9-7-15)12-5-3-2-4-11(12)13(16)18-14/h2-5H,6-10H2,1H3.
What are the key properties of 3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one?
3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one has a molecular weight of 247.29 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(morpholin-4-ylmethyl)-2-benzofuran-1-one is sourced from PubChem (CID 134959260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).