(6S)-6-ethenylmorpholin-3-one

C6H9NO2 — CID 89424280

IUPAC(6S)-6-ethenylmorpholin-3-one
SMILESC=C[C@H]1CNC(=O)CO1
InChIInChI=1S/C6H9NO2/c1-2-5-3-7-6(8)4-9-5/h2,5H,1,3-4H2,(H,7,8)/t5-/m0/s1
InChIKeyALRUVYOEBSKMPC-YFKPBYRVSA-N
MW127.14 g/mol
LogP-0.31
Rot. Bonds1

About (6S)-6-ethenylmorpholin-3-one

(6S)-6-ethenylmorpholin-3-one (PubChem CID 89424280) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is (6S)-6-ethenylmorpholin-3-one.

Molecular Properties

Compound Name(6S)-6-ethenylmorpholin-3-one
PubChem CID89424280
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name(6S)-6-ethenylmorpholin-3-one
SMILESC=C[C@H]1CNC(=O)CO1
InChIInChI=1S/C6H9NO2/c1-2-5-3-7-6(8)4-9-5/h2,5H,1,3-4H2,(H,7,8)/t5-/m0/s1
InChIKeyALRUVYOEBSKMPC-YFKPBYRVSA-N
XLogP-0.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-ethenylmorpholin-3-one?
The IUPAC name of (6S)-6-ethenylmorpholin-3-one (CID 89424280) is (6S)-6-ethenylmorpholin-3-one.
What is the SMILES notation for (6S)-6-ethenylmorpholin-3-one?
The canonical SMILES for (6S)-6-ethenylmorpholin-3-one is C=C[C@H]1CNC(=O)CO1.
What is the InChIKey of (6S)-6-ethenylmorpholin-3-one?
The InChIKey is ALRUVYOEBSKMPC-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H9NO2/c1-2-5-3-7-6(8)4-9-5/h2,5H,1,3-4H2,(H,7,8)/t5-/m0/s1.
What are the key properties of (6S)-6-ethenylmorpholin-3-one?
(6S)-6-ethenylmorpholin-3-one has a molecular weight of 127.14 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-ethenylmorpholin-3-one is sourced from PubChem (CID 89424280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).