ethyl 3-morpholin-4-ylprop-2-enoate

C9H15NO3 — CID 71421025

IUPACethyl 3-morpholin-4-ylprop-2-enoate
SMILESCCOC(=O)C=CN1CCOCC1
InChIInChI=1S/C9H15NO3/c1-2-13-9(11)3-4-10-5-7-12-8-6-10/h3-4H,2,5-8H2,1H3
InChIKeyDZTFOBJTWGCIFC-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.40
Rot. Bonds3

About ethyl 3-morpholin-4-ylprop-2-enoate

ethyl 3-morpholin-4-ylprop-2-enoate (PubChem CID 71421025) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is ethyl 3-morpholin-4-ylprop-2-enoate.

Molecular Properties

Compound Nameethyl 3-morpholin-4-ylprop-2-enoate
PubChem CID71421025
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Nameethyl 3-morpholin-4-ylprop-2-enoate
SMILESCCOC(=O)C=CN1CCOCC1
InChIInChI=1S/C9H15NO3/c1-2-13-9(11)3-4-10-5-7-12-8-6-10/h3-4H,2,5-8H2,1H3
InChIKeyDZTFOBJTWGCIFC-UHFFFAOYSA-N
XLogP0.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-morpholin-4-ylprop-2-enoate?
The IUPAC name of ethyl 3-morpholin-4-ylprop-2-enoate (CID 71421025) is ethyl 3-morpholin-4-ylprop-2-enoate.
What is the SMILES notation for ethyl 3-morpholin-4-ylprop-2-enoate?
The canonical SMILES for ethyl 3-morpholin-4-ylprop-2-enoate is CCOC(=O)C=CN1CCOCC1.
What is the InChIKey of ethyl 3-morpholin-4-ylprop-2-enoate?
The InChIKey is DZTFOBJTWGCIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-13-9(11)3-4-10-5-7-12-8-6-10/h3-4H,2,5-8H2,1H3.
What are the key properties of ethyl 3-morpholin-4-ylprop-2-enoate?
ethyl 3-morpholin-4-ylprop-2-enoate has a molecular weight of 185.22 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-morpholin-4-ylprop-2-enoate is sourced from PubChem (CID 71421025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).