(2-ethylmorpholin-2-yl) prop-2-enoate

C9H15NO3 — CID 18354054

IUPAC(2-ethylmorpholin-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1(CC)CNCCO1
InChIInChI=1S/C9H15NO3/c1-3-8(11)13-9(4-2)7-10-5-6-12-9/h3,10H,1,4-7H2,2H3
InChIKeyDZICBGZNHVCADA-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.44
Rot. Bonds3

About (2-ethylmorpholin-2-yl) prop-2-enoate

(2-ethylmorpholin-2-yl) prop-2-enoate (PubChem CID 18354054) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (2-ethylmorpholin-2-yl) prop-2-enoate.

Molecular Properties

Compound Name(2-ethylmorpholin-2-yl) prop-2-enoate
PubChem CID18354054
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(2-ethylmorpholin-2-yl) prop-2-enoate
SMILESC=CC(=O)OC1(CC)CNCCO1
InChIInChI=1S/C9H15NO3/c1-3-8(11)13-9(4-2)7-10-5-6-12-9/h3,10H,1,4-7H2,2H3
InChIKeyDZICBGZNHVCADA-UHFFFAOYSA-N
XLogP0.44
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2-ethylmorpholin-2-yl) prop-2-enoate 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 (2-ethylmorpholin-2-yl) prop-2-enoate?
The IUPAC name of (2-ethylmorpholin-2-yl) prop-2-enoate (CID 18354054) is (2-ethylmorpholin-2-yl) prop-2-enoate.
What is the SMILES notation for (2-ethylmorpholin-2-yl) prop-2-enoate?
The canonical SMILES for (2-ethylmorpholin-2-yl) prop-2-enoate is C=CC(=O)OC1(CC)CNCCO1.
What is the InChIKey of (2-ethylmorpholin-2-yl) prop-2-enoate?
The InChIKey is DZICBGZNHVCADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-3-8(11)13-9(4-2)7-10-5-6-12-9/h3,10H,1,4-7H2,2H3.
What are the key properties of (2-ethylmorpholin-2-yl) prop-2-enoate?
(2-ethylmorpholin-2-yl) prop-2-enoate has a molecular weight of 185.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylmorpholin-2-yl) prop-2-enoate is sourced from PubChem (CID 18354054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).