4-morpholin-4-ylbut-2-ynyl propanoate

C11H17NO3 — CID 11976484

IUPAC4-morpholin-4-ylbut-2-ynyl propanoate
SMILESCCC(=O)OCC#CCN1CCOCC1
InChIInChI=1S/C11H17NO3/c1-2-11(13)15-8-4-3-5-12-6-9-14-10-7-12/h2,5-10H2,1H3
InChIKeyGNMRYZKJZZLDRB-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.28
Rot. Bonds3

About 4-morpholin-4-ylbut-2-ynyl propanoate

4-morpholin-4-ylbut-2-ynyl propanoate (PubChem CID 11976484) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-morpholin-4-ylbut-2-ynyl propanoate.

Molecular Properties

Compound Name4-morpholin-4-ylbut-2-ynyl propanoate
PubChem CID11976484
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4-morpholin-4-ylbut-2-ynyl propanoate
SMILESCCC(=O)OCC#CCN1CCOCC1
InChIInChI=1S/C11H17NO3/c1-2-11(13)15-8-4-3-5-12-6-9-14-10-7-12/h2,5-10H2,1H3
InChIKeyGNMRYZKJZZLDRB-UHFFFAOYSA-N
XLogP0.28
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-morpholin-4-ylbut-2-ynyl propanoate 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 4-morpholin-4-ylbut-2-ynyl propanoate?
The IUPAC name of 4-morpholin-4-ylbut-2-ynyl propanoate (CID 11976484) is 4-morpholin-4-ylbut-2-ynyl propanoate.
What is the SMILES notation for 4-morpholin-4-ylbut-2-ynyl propanoate?
The canonical SMILES for 4-morpholin-4-ylbut-2-ynyl propanoate is CCC(=O)OCC#CCN1CCOCC1.
What is the InChIKey of 4-morpholin-4-ylbut-2-ynyl propanoate?
The InChIKey is GNMRYZKJZZLDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-2-11(13)15-8-4-3-5-12-6-9-14-10-7-12/h2,5-10H2,1H3.
What are the key properties of 4-morpholin-4-ylbut-2-ynyl propanoate?
4-morpholin-4-ylbut-2-ynyl propanoate has a molecular weight of 211.26 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylbut-2-ynyl propanoate is sourced from PubChem (CID 11976484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).