1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone

C11H19NO3 — CID 90250225

IUPAC1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone
SMILESC=C[C@@H](CC)OCC(=O)N1CCOCC1
InChIInChI=1S/C11H19NO3/c1-3-10(4-2)15-9-11(13)12-5-7-14-8-6-12/h3,10H,1,4-9H2,2H3/t10-/m0/s1
InChIKeyGJKQMKJOVZDXOH-JTQLQIEISA-N
MW213.28 g/mol
LogP0.83
Rot. Bonds5

About 1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone

1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone (PubChem CID 90250225) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone
PubChem CID90250225
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone
SMILESC=C[C@@H](CC)OCC(=O)N1CCOCC1
InChIInChI=1S/C11H19NO3/c1-3-10(4-2)15-9-11(13)12-5-7-14-8-6-12/h3,10H,1,4-9H2,2H3/t10-/m0/s1
InChIKeyGJKQMKJOVZDXOH-JTQLQIEISA-N
XLogP0.83
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone?
The IUPAC name of 1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone (CID 90250225) is 1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone is C=C[C@@H](CC)OCC(=O)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone?
The InChIKey is GJKQMKJOVZDXOH-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-10(4-2)15-9-11(13)12-5-7-14-8-6-12/h3,10H,1,4-9H2,2H3/t10-/m0/s1.
What are the key properties of 1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone?
1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone has a molecular weight of 213.28 g/mol, XLogP of 0.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(3R)-pent-1-en-3-yl]oxyethanone is sourced from PubChem (CID 90250225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).