2-(3-oxomorpholin-4-yl)ethanolate

C6H10NO3- — CID 142382646

IUPAC2-(3-oxomorpholin-4-yl)ethanolate
SMILESO=C1COCCN1CC[O-]
InChIInChI=1S/C6H10NO3/c8-3-1-7-2-4-10-5-6(7)9/h1-5H2/q-1
InChIKeyRJCACJKYAUBOLU-UHFFFAOYSA-N
MW144.15 g/mol
LogP-1.79
Rot. Bonds2

About 2-(3-oxomorpholin-4-yl)ethanolate

2-(3-oxomorpholin-4-yl)ethanolate (PubChem CID 142382646) has the molecular formula C6H10NO3- and a molecular weight of 144.15 g/mol. Its IUPAC name is 2-(3-oxomorpholin-4-yl)ethanolate.

Molecular Properties

Compound Name2-(3-oxomorpholin-4-yl)ethanolate
PubChem CID142382646
Molecular FormulaC6H10NO3-
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name2-(3-oxomorpholin-4-yl)ethanolate
SMILESO=C1COCCN1CC[O-]
InChIInChI=1S/C6H10NO3/c8-3-1-7-2-4-10-5-6(7)9/h1-5H2/q-1
InChIKeyRJCACJKYAUBOLU-UHFFFAOYSA-N
XLogP-1.79
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 5-1.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-oxomorpholin-4-yl)ethanolate?
The IUPAC name of 2-(3-oxomorpholin-4-yl)ethanolate (CID 142382646) is 2-(3-oxomorpholin-4-yl)ethanolate.
What is the SMILES notation for 2-(3-oxomorpholin-4-yl)ethanolate?
The canonical SMILES for 2-(3-oxomorpholin-4-yl)ethanolate is O=C1COCCN1CC[O-].
What is the InChIKey of 2-(3-oxomorpholin-4-yl)ethanolate?
The InChIKey is RJCACJKYAUBOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO3/c8-3-1-7-2-4-10-5-6(7)9/h1-5H2/q-1.
What are the key properties of 2-(3-oxomorpholin-4-yl)ethanolate?
2-(3-oxomorpholin-4-yl)ethanolate has a molecular weight of 144.15 g/mol, XLogP of -1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-oxomorpholin-4-yl)ethanolate is sourced from PubChem (CID 142382646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).