4-but-3-enylmorpholin-4-ium

C8H16NO+ — CID 40521366

IUPAC4-but-3-enylmorpholin-4-ium
SMILESC=CCC[NH+]1CCOCC1
InChIInChI=1S/C8H15NO/c1-2-3-4-9-5-7-10-8-6-9/h2H,1,3-8H2/p+1
InChIKeyRCADSGKLHCKKQN-UHFFFAOYSA-O
MW142.22 g/mol
LogP-0.52
Rot. Bonds3

About 4-but-3-enylmorpholin-4-ium

4-but-3-enylmorpholin-4-ium (PubChem CID 40521366) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is 4-but-3-enylmorpholin-4-ium.

Molecular Properties

Compound Name4-but-3-enylmorpholin-4-ium
PubChem CID40521366
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name4-but-3-enylmorpholin-4-ium
SMILESC=CCC[NH+]1CCOCC1
InChIInChI=1S/C8H15NO/c1-2-3-4-9-5-7-10-8-6-9/h2H,1,3-8H2/p+1
InChIKeyRCADSGKLHCKKQN-UHFFFAOYSA-O
XLogP-0.52
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-but-3-enylmorpholin-4-ium?
The IUPAC name of 4-but-3-enylmorpholin-4-ium (CID 40521366) is 4-but-3-enylmorpholin-4-ium.
What is the SMILES notation for 4-but-3-enylmorpholin-4-ium?
The canonical SMILES for 4-but-3-enylmorpholin-4-ium is C=CCC[NH+]1CCOCC1.
What is the InChIKey of 4-but-3-enylmorpholin-4-ium?
The InChIKey is RCADSGKLHCKKQN-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO/c1-2-3-4-9-5-7-10-8-6-9/h2H,1,3-8H2/p+1.
What are the key properties of 4-but-3-enylmorpholin-4-ium?
4-but-3-enylmorpholin-4-ium has a molecular weight of 142.22 g/mol, XLogP of -0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enylmorpholin-4-ium is sourced from PubChem (CID 40521366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).