[(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate

C11H17NO4 — CID 101105008

IUPAC[(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate
SMILESC=CC[C@H](OC(C)=O)C(=O)N1CCOCC1
InChIInChI=1S/C11H17NO4/c1-3-4-10(16-9(2)13)11(14)12-5-7-15-8-6-12/h3,10H,1,4-8H2,2H3/t10-/m0/s1
InChIKeyOIYYWKBKBMAJLJ-JTQLQIEISA-N
MW227.26 g/mol
LogP0.35
Rot. Bonds4

About [(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate

[(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate (PubChem CID 101105008) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is [(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate.

Molecular Properties

Compound Name[(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate
PubChem CID101105008
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name[(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate
SMILESC=CC[C@H](OC(C)=O)C(=O)N1CCOCC1
InChIInChI=1S/C11H17NO4/c1-3-4-10(16-9(2)13)11(14)12-5-7-15-8-6-12/h3,10H,1,4-8H2,2H3/t10-/m0/s1
InChIKeyOIYYWKBKBMAJLJ-JTQLQIEISA-N
XLogP0.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate?
The IUPAC name of [(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate (CID 101105008) is [(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate.
What is the SMILES notation for [(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate?
The canonical SMILES for [(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate is C=CC[C@H](OC(C)=O)C(=O)N1CCOCC1.
What is the InChIKey of [(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate?
The InChIKey is OIYYWKBKBMAJLJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NO4/c1-3-4-10(16-9(2)13)11(14)12-5-7-15-8-6-12/h3,10H,1,4-8H2,2H3/t10-/m0/s1.
What are the key properties of [(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate?
[(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate has a molecular weight of 227.26 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-morpholin-4-yl-1-oxopent-4-en-2-yl] acetate is sourced from PubChem (CID 101105008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).