4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine

C13H21NO2 — CID 6448610

IUPAC4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine
SMILESCCCCO/C=C/C#CCN1CCOCC1
InChIInChI=1S/C13H21NO2/c1-2-3-10-15-11-6-4-5-7-14-8-12-16-13-9-14/h6,11H,2-3,7-10,12-13H2,1H3/b11-6+
InChIKeyWKUZASLJYKAXOR-IZZDOVSWSA-N
MW223.32 g/mol
LogP1.65
Rot. Bonds5

About 4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine

4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine (PubChem CID 6448610) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine.

Molecular Properties

Compound Name4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine
PubChem CID6448610
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine
SMILESCCCCO/C=C/C#CCN1CCOCC1
InChIInChI=1S/C13H21NO2/c1-2-3-10-15-11-6-4-5-7-14-8-12-16-13-9-14/h6,11H,2-3,7-10,12-13H2,1H3/b11-6+
InChIKeyWKUZASLJYKAXOR-IZZDOVSWSA-N
XLogP1.65
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine?
The IUPAC name of 4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine (CID 6448610) is 4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine.
What is the SMILES notation for 4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine?
The canonical SMILES for 4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine is CCCCO/C=C/C#CCN1CCOCC1.
What is the InChIKey of 4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine?
The InChIKey is WKUZASLJYKAXOR-IZZDOVSWSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-3-10-15-11-6-4-5-7-14-8-12-16-13-9-14/h6,11H,2-3,7-10,12-13H2,1H3/b11-6+.
What are the key properties of 4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine?
4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine has a molecular weight of 223.32 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-5-butoxypent-4-en-2-ynyl]morpholine is sourced from PubChem (CID 6448610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).