3-morpholin-4-yl-2H-furan-5-one

C8H11NO3 — CID 11321197

IUPAC3-morpholin-4-yl-2H-furan-5-one
SMILESO=C1C=C(N2CCOCC2)CO1
InChIInChI=1S/C8H11NO3/c10-8-5-7(6-12-8)9-1-3-11-4-2-9/h5H,1-4,6H2
InChIKeyZHIYKVVSLUKZBU-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.24
Rot. Bonds1

About 3-morpholin-4-yl-2H-furan-5-one

3-morpholin-4-yl-2H-furan-5-one (PubChem CID 11321197) has the molecular formula C8H11NO3 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-morpholin-4-yl-2H-furan-5-one.

Molecular Properties

Compound Name3-morpholin-4-yl-2H-furan-5-one
PubChem CID11321197
Molecular FormulaC8H11NO3
Molecular Weight169.18 g/mol
Exact Mass169.07
IUPAC Name3-morpholin-4-yl-2H-furan-5-one
SMILESO=C1C=C(N2CCOCC2)CO1
InChIInChI=1S/C8H11NO3/c10-8-5-7(6-12-8)9-1-3-11-4-2-9/h5H,1-4,6H2
InChIKeyZHIYKVVSLUKZBU-UHFFFAOYSA-N
XLogP-0.24
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.24
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-2H-furan-5-one?
The IUPAC name of 3-morpholin-4-yl-2H-furan-5-one (CID 11321197) is 3-morpholin-4-yl-2H-furan-5-one.
What is the SMILES notation for 3-morpholin-4-yl-2H-furan-5-one?
The canonical SMILES for 3-morpholin-4-yl-2H-furan-5-one is O=C1C=C(N2CCOCC2)CO1.
What is the InChIKey of 3-morpholin-4-yl-2H-furan-5-one?
The InChIKey is ZHIYKVVSLUKZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO3/c10-8-5-7(6-12-8)9-1-3-11-4-2-9/h5H,1-4,6H2.
What are the key properties of 3-morpholin-4-yl-2H-furan-5-one?
3-morpholin-4-yl-2H-furan-5-one has a molecular weight of 169.18 g/mol, XLogP of -0.24, 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-2H-furan-5-one is sourced from PubChem (CID 11321197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).