4-[(1E)-buta-1,3-dienyl]morpholine

C8H13NO — CID 5372462

IUPAC4-[(1E)-buta-1,3-dienyl]morpholine
SMILESC=C/C=C/N1CCOCC1
InChIInChI=1S/C8H13NO/c1-2-3-4-9-5-7-10-8-6-9/h2-4H,1,5-8H2/b4-3+
InChIKeyIWEIPICHXMWRJU-ONEGZZNKSA-N
MW139.20 g/mol
LogP1.02
Rot. Bonds2

About 4-[(1E)-buta-1,3-dienyl]morpholine

4-[(1E)-buta-1,3-dienyl]morpholine (PubChem CID 5372462) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-[(1E)-buta-1,3-dienyl]morpholine.

Molecular Properties

Compound Name4-[(1E)-buta-1,3-dienyl]morpholine
PubChem CID5372462
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name4-[(1E)-buta-1,3-dienyl]morpholine
SMILESC=C/C=C/N1CCOCC1
InChIInChI=1S/C8H13NO/c1-2-3-4-9-5-7-10-8-6-9/h2-4H,1,5-8H2/b4-3+
InChIKeyIWEIPICHXMWRJU-ONEGZZNKSA-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-[(1E)-buta-1,3-dienyl]morpholine?
The IUPAC name of 4-[(1E)-buta-1,3-dienyl]morpholine (CID 5372462) is 4-[(1E)-buta-1,3-dienyl]morpholine.
What is the SMILES notation for 4-[(1E)-buta-1,3-dienyl]morpholine?
The canonical SMILES for 4-[(1E)-buta-1,3-dienyl]morpholine is C=C/C=C/N1CCOCC1.
What is the InChIKey of 4-[(1E)-buta-1,3-dienyl]morpholine?
The InChIKey is IWEIPICHXMWRJU-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-3-4-9-5-7-10-8-6-9/h2-4H,1,5-8H2/b4-3+.
What are the key properties of 4-[(1E)-buta-1,3-dienyl]morpholine?
4-[(1E)-buta-1,3-dienyl]morpholine 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-[(1E)-buta-1,3-dienyl]morpholine is sourced from PubChem (CID 5372462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).