4-[1-(2-morpholin-4-ylbut-3-enoxy)but-3-en-2-yl]morpholine

C16H28N2O3 — CID 57054160

IUPAC4-[1-(2-morpholin-4-ylbut-3-enoxy)but-3-en-2-yl]morpholine
SMILESC=CC(COCC(C=C)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H28N2O3/c1-3-15(17-5-9-19-10-6-17)13-21-14-16(4-2)18-7-11-20-12-8-18/h3-4,15-16H,1-2,5-14H2
InChIKeyBUTQBPSIQOUHDH-UHFFFAOYSA-N
MW296.41 g/mol
LogP0.78
Rot. Bonds8

About 4-[1-(2-morpholin-4-ylbut-3-enoxy)but-3-en-2-yl]morpholine

4-[1-(2-morpholin-4-ylbut-3-enoxy)but-3-en-2-yl]morpholine (PubChem CID 57054160) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is 4-[1-(2-morpholin-4-ylbut-3-enoxy)but-3-en-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-morpholin-4-ylbut-3-enoxy)but-3-en-2-yl]morpholine
PubChem CID57054160
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name4-[1-(2-morpholin-4-ylbut-3-enoxy)but-3-en-2-yl]morpholine
SMILESC=CC(COCC(C=C)N1CCOCC1)N1CCOCC1
InChIInChI=1S/C16H28N2O3/c1-3-15(17-5-9-19-10-6-17)13-21-14-16(4-2)18-7-11-20-12-8-18/h3-4,15-16H,1-2,5-14H2
InChIKeyBUTQBPSIQOUHDH-UHFFFAOYSA-N
XLogP0.78
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[1-(2-morpholin-4-ylbut-3-enoxy)but-3-en-2-yl]morpholine?
The IUPAC name of 4-[1-(2-morpholin-4-ylbut-3-enoxy)but-3-en-2-yl]morpholine (CID 57054160) is 4-[1-(2-morpholin-4-ylbut-3-enoxy)but-3-en-2-yl]morpholine.
What is the SMILES notation for 4-[1-(2-morpholin-4-ylbut-3-enoxy)but-3-en-2-yl]morpholine?
The canonical SMILES for 4-[1-(2-morpholin-4-ylbut-3-enoxy)but-3-en-2-yl]morpholine is C=CC(COCC(C=C)N1CCOCC1)N1CCOCC1.
What is the InChIKey of 4-[1-(2-morpholin-4-ylbut-3-enoxy)but-3-en-2-yl]morpholine?
The InChIKey is BUTQBPSIQOUHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-15(17-5-9-19-10-6-17)13-21-14-16(4-2)18-7-11-20-12-8-18/h3-4,15-16H,1-2,5-14H2.
What are the key properties of 4-[1-(2-morpholin-4-ylbut-3-enoxy)but-3-en-2-yl]morpholine?
4-[1-(2-morpholin-4-ylbut-3-enoxy)but-3-en-2-yl]morpholine has a molecular weight of 296.41 g/mol, XLogP of 0.78, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-morpholin-4-ylbut-3-enoxy)but-3-en-2-yl]morpholine is sourced from PubChem (CID 57054160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).