6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one

C15H17NO5 — CID 63095193

IUPAC6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one
SMILESCC(Oc1ccc2c(c1)OCC2=O)C(=O)N1CCOCC1
InChIInChI=1S/C15H17NO5/c1-10(15(18)16-4-6-19-7-5-16)21-11-2-3-12-13(17)9-20-14(12)8-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyUJFMBHVZMDSDOM-UHFFFAOYSA-N
MW291.30 g/mol
LogP0.89
Rot. Bonds3

About 6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one

6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one (PubChem CID 63095193) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one.

Molecular Properties

Compound Name6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one
PubChem CID63095193
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one
SMILESCC(Oc1ccc2c(c1)OCC2=O)C(=O)N1CCOCC1
InChIInChI=1S/C15H17NO5/c1-10(15(18)16-4-6-19-7-5-16)21-11-2-3-12-13(17)9-20-14(12)8-11/h2-3,8,10H,4-7,9H2,1H3
InChIKeyUJFMBHVZMDSDOM-UHFFFAOYSA-N
XLogP0.89
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-oxobutan-2-yloxy)-1-benzofuran-3-one
CID 62033452
N,N-dimethyl-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63094838
N-(2-methylpropyl)-2-[(3-oxo-1-benzofuran-6-yl)oxy]propanamide
CID 63095016
2-(3,4-difluorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 78767959
2-[4-(1-hydroxyethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43503667
2-[4-(hydroxymethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43083069
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825
(2S)-2-(3-methoxyphenoxy)-1-morpholin-4-ylpropan-1-one
CID 92679202
(3S)-3-[(3-oxo-1-benzofuran-6-yl)oxy]butanoic acid
CID 103547942
(2S)-2-(3,5-dichlorophenoxy)-1-morpholin-4-ylpropan-1-one
CID 95165980
2-(3-iodophenoxy)-1-morpholin-4-ylpropan-1-one
CID 21101274
2-[4-(aminomethyl)phenoxy]-1-morpholin-4-ylpropan-1-one
CID 43115804

Frequently Asked Questions

What is the IUPAC name of 6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one?
The IUPAC name of 6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one (CID 63095193) is 6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one.
What is the SMILES notation for 6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one?
The canonical SMILES for 6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one is CC(Oc1ccc2c(c1)OCC2=O)C(=O)N1CCOCC1.
What is the InChIKey of 6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one?
The InChIKey is UJFMBHVZMDSDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-10(15(18)16-4-6-19-7-5-16)21-11-2-3-12-13(17)9-20-14(12)8-11/h2-3,8,10H,4-7,9H2,1H3.
What are the key properties of 6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one?
6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one has a molecular weight of 291.30 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-morpholin-4-yl-1-oxopropan-2-yl)oxy-1-benzofuran-3-one is sourced from PubChem (CID 63095193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).