2-morpholin-4-ylethyl hex-2-enoate

C12H21NO3 — CID 54451512

IUPAC2-morpholin-4-ylethyl hex-2-enoate
SMILESCCCC=CC(=O)OCCN1CCOCC1
InChIInChI=1S/C12H21NO3/c1-2-3-4-5-12(14)16-11-8-13-6-9-15-10-7-13/h4-5H,2-3,6-11H2,1H3
InChIKeyWVHOSTRKMWPSMT-UHFFFAOYSA-N
MW227.30 g/mol
LogP1.22
Rot. Bonds6

About 2-morpholin-4-ylethyl hex-2-enoate

2-morpholin-4-ylethyl hex-2-enoate (PubChem CID 54451512) has the molecular formula C12H21NO3 and a molecular weight of 227.30 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl hex-2-enoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl hex-2-enoate
PubChem CID54451512
Molecular FormulaC12H21NO3
Molecular Weight227.30 g/mol
Exact Mass227.15
IUPAC Name2-morpholin-4-ylethyl hex-2-enoate
SMILESCCCC=CC(=O)OCCN1CCOCC1
InChIInChI=1S/C12H21NO3/c1-2-3-4-5-12(14)16-11-8-13-6-9-15-10-7-13/h4-5H,2-3,6-11H2,1H3
InChIKeyWVHOSTRKMWPSMT-UHFFFAOYSA-N
XLogP1.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.30
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-morpholin-4-ylethyl hex-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-morpholin-4-ylethyl hex-2-enoate?
The IUPAC name of 2-morpholin-4-ylethyl hex-2-enoate (CID 54451512) is 2-morpholin-4-ylethyl hex-2-enoate.
What is the SMILES notation for 2-morpholin-4-ylethyl hex-2-enoate?
The canonical SMILES for 2-morpholin-4-ylethyl hex-2-enoate is CCCC=CC(=O)OCCN1CCOCC1.
What is the InChIKey of 2-morpholin-4-ylethyl hex-2-enoate?
The InChIKey is WVHOSTRKMWPSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3/c1-2-3-4-5-12(14)16-11-8-13-6-9-15-10-7-13/h4-5H,2-3,6-11H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl hex-2-enoate?
2-morpholin-4-ylethyl hex-2-enoate has a molecular weight of 227.30 g/mol, XLogP of 1.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl hex-2-enoate is sourced from PubChem (CID 54451512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).