(6S)-6-ethenylmorpholin-3-one;molecular hydrogen

C6H11NO2 — CID 144542954

IUPAC(6S)-6-ethenylmorpholin-3-one;molecular hydrogen
SMILESC=C[C@H]1CNC(=O)CO1.[H][H]
InChIInChI=1S/C6H9NO2.H2/c1-2-5-3-7-6(8)4-9-5;/h2,5H,1,3-4H2,(H,7,8);1H/t5-;/m0./s1
InChIKeyLSOPAKLYZOHZIP-JEDNCBNOSA-N
MW129.16 g/mol
LogP-0.07
Rot. Bonds1

About (6S)-6-ethenylmorpholin-3-one;molecular hydrogen

(6S)-6-ethenylmorpholin-3-one;molecular hydrogen (PubChem CID 144542954) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is (6S)-6-ethenylmorpholin-3-one;molecular hydrogen.

Molecular Properties

Compound Name(6S)-6-ethenylmorpholin-3-one;molecular hydrogen
PubChem CID144542954
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name(6S)-6-ethenylmorpholin-3-one;molecular hydrogen
SMILESC=C[C@H]1CNC(=O)CO1.[H][H]
InChIInChI=1S/C6H9NO2.H2/c1-2-5-3-7-6(8)4-9-5;/h2,5H,1,3-4H2,(H,7,8);1H/t5-;/m0./s1
InChIKeyLSOPAKLYZOHZIP-JEDNCBNOSA-N
XLogP-0.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.07
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;molecular hydrogen?
The IUPAC name of (6S)-6-ethenylmorpholin-3-one;molecular hydrogen (CID 144542954) is (6S)-6-ethenylmorpholin-3-one;molecular hydrogen.
What is the SMILES notation for (6S)-6-ethenylmorpholin-3-one;molecular hydrogen?
The canonical SMILES for (6S)-6-ethenylmorpholin-3-one;molecular hydrogen is C=C[C@H]1CNC(=O)CO1.[H][H].
What is the InChIKey of (6S)-6-ethenylmorpholin-3-one;molecular hydrogen?
The InChIKey is LSOPAKLYZOHZIP-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H9NO2.H2/c1-2-5-3-7-6(8)4-9-5;/h2,5H,1,3-4H2,(H,7,8);1H/t5-;/m0./s1.
What are the key properties of (6S)-6-ethenylmorpholin-3-one;molecular hydrogen?
(6S)-6-ethenylmorpholin-3-one;molecular hydrogen has a molecular weight of 129.16 g/mol, XLogP of -0.07, 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;molecular hydrogen is sourced from PubChem (CID 144542954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).