4-buta-1,3-dienylmorpholine

C8H13NO — CID 586981

IUPAC4-buta-1,3-dienylmorpholine
SMILESC=CC=CN1CCOCC1
InChIInChI=1S/C8H13NO/c1-2-3-4-9-5-7-10-8-6-9/h2-4H,1,5-8H2
InChIKeyIWEIPICHXMWRJU-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.02
Rot. Bonds2

About 4-buta-1,3-dienylmorpholine

4-buta-1,3-dienylmorpholine (PubChem CID 586981) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-buta-1,3-dienylmorpholine.

Molecular Properties

Compound Name4-buta-1,3-dienylmorpholine
PubChem CID586981
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-buta-1,3-dienylmorpholine
SMILESC=CC=CN1CCOCC1
InChIInChI=1S/C8H13NO/c1-2-3-4-9-5-7-10-8-6-9/h2-4H,1,5-8H2
InChIKeyIWEIPICHXMWRJU-UHFFFAOYSA-N
XLogP1.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-buta-1,3-dienylmorpholine?
The IUPAC name of 4-buta-1,3-dienylmorpholine (CID 586981) is 4-buta-1,3-dienylmorpholine.
What is the SMILES notation for 4-buta-1,3-dienylmorpholine?
The canonical SMILES for 4-buta-1,3-dienylmorpholine is C=CC=CN1CCOCC1.
What is the InChIKey of 4-buta-1,3-dienylmorpholine?
The InChIKey is IWEIPICHXMWRJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-4-9-5-7-10-8-6-9/h2-4H,1,5-8H2.
What are the key properties of 4-buta-1,3-dienylmorpholine?
4-buta-1,3-dienylmorpholine has a molecular weight of 139.20 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-buta-1,3-dienylmorpholine is sourced from PubChem (CID 586981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).