3-morpholin-4-yloxolan-2-one

C8H13NO3 — CID 19029984

IUPAC3-morpholin-4-yloxolan-2-one
SMILESO=C1OCCC1N1CCOCC1
InChIInChI=1S/C8H13NO3/c10-8-7(1-4-12-8)9-2-5-11-6-3-9/h7H,1-6H2
InChIKeyARTCHCILIJYPMB-UHFFFAOYSA-N
MW171.20 g/mol
LogP-0.37
Rot. Bonds1

About 3-morpholin-4-yloxolan-2-one

3-morpholin-4-yloxolan-2-one (PubChem CID 19029984) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 3-morpholin-4-yloxolan-2-one.

Molecular Properties

Compound Name3-morpholin-4-yloxolan-2-one
PubChem CID19029984
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name3-morpholin-4-yloxolan-2-one
SMILESO=C1OCCC1N1CCOCC1
InChIInChI=1S/C8H13NO3/c10-8-7(1-4-12-8)9-2-5-11-6-3-9/h7H,1-6H2
InChIKeyARTCHCILIJYPMB-UHFFFAOYSA-N
XLogP-0.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yloxolan-2-one?
The IUPAC name of 3-morpholin-4-yloxolan-2-one (CID 19029984) is 3-morpholin-4-yloxolan-2-one.
What is the SMILES notation for 3-morpholin-4-yloxolan-2-one?
The canonical SMILES for 3-morpholin-4-yloxolan-2-one is O=C1OCCC1N1CCOCC1.
What is the InChIKey of 3-morpholin-4-yloxolan-2-one?
The InChIKey is ARTCHCILIJYPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3/c10-8-7(1-4-12-8)9-2-5-11-6-3-9/h7H,1-6H2.
What are the key properties of 3-morpholin-4-yloxolan-2-one?
3-morpholin-4-yloxolan-2-one has a molecular weight of 171.20 g/mol, XLogP of -0.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yloxolan-2-one is sourced from PubChem (CID 19029984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).