4-but-3-enylmorpholine

C8H15NO — CID 3375564

IUPAC4-but-3-enylmorpholine
SMILESC=CCCN1CCOCC1
InChIInChI=1S/C8H15NO/c1-2-3-4-9-5-7-10-8-6-9/h2H,1,3-8H2
InChIKeyRCADSGKLHCKKQN-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.89
Rot. Bonds3

About 4-but-3-enylmorpholine

4-but-3-enylmorpholine (PubChem CID 3375564) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 4-but-3-enylmorpholine.

Molecular Properties

Compound Name4-but-3-enylmorpholine
PubChem CID3375564
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name4-but-3-enylmorpholine
SMILESC=CCCN1CCOCC1
InChIInChI=1S/C8H15NO/c1-2-3-4-9-5-7-10-8-6-9/h2H,1,3-8H2
InChIKeyRCADSGKLHCKKQN-UHFFFAOYSA-N
XLogP0.89
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.89
H-Bond Donors ≤ 50
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 4-but-3-enylmorpholine?
The IUPAC name of 4-but-3-enylmorpholine (CID 3375564) is 4-but-3-enylmorpholine.
What is the SMILES notation for 4-but-3-enylmorpholine?
The canonical SMILES for 4-but-3-enylmorpholine is C=CCCN1CCOCC1.
What is the InChIKey of 4-but-3-enylmorpholine?
The InChIKey is RCADSGKLHCKKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-4-9-5-7-10-8-6-9/h2H,1,3-8H2.
What are the key properties of 4-but-3-enylmorpholine?
4-but-3-enylmorpholine has a molecular weight of 141.21 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enylmorpholine is sourced from PubChem (CID 3375564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).