methyl (E)-4-morpholin-4-ylbut-2-enoate

C9H15NO3 — CID 5374223

IUPACmethyl (E)-4-morpholin-4-ylbut-2-enoate
SMILESCOC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C9H15NO3/c1-12-9(11)3-2-4-10-5-7-13-8-6-10/h2-3H,4-8H2,1H3/b3-2+
InChIKeyAEAPTGKRZWXAMP-NSCUHMNNSA-N
MW185.22 g/mol
LogP0.05
Rot. Bonds3

About methyl (E)-4-morpholin-4-ylbut-2-enoate

methyl (E)-4-morpholin-4-ylbut-2-enoate (PubChem CID 5374223) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (E)-4-morpholin-4-ylbut-2-enoate.

Molecular Properties

Compound Namemethyl (E)-4-morpholin-4-ylbut-2-enoate
PubChem CID5374223
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (E)-4-morpholin-4-ylbut-2-enoate
SMILESCOC(=O)/C=C/CN1CCOCC1
InChIInChI=1S/C9H15NO3/c1-12-9(11)3-2-4-10-5-7-13-8-6-10/h2-3H,4-8H2,1H3/b3-2+
InChIKeyAEAPTGKRZWXAMP-NSCUHMNNSA-N
XLogP0.05
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 ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze methyl (E)-4-morpholin-4-ylbut-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

Related Compounds

2-(Dimethylamino)ethyl hexa-2,4-dienoate
CID 86091
4-Morpholinecrotonic acid, beta-ethoxy-, ethyl ester
CID 6446659
(2E)-4-(morpholin-4-yl)but-2-enoic acid hydrochloride
CID 75481716
2-Morpholinoethyl acrylate
CID 88216
2-(Diethylamino) ethylcrotonate
CID 5476376
ethyl (2E)-4-(morpholin-4-yl)but-2-enoate
CID 80346587
Ethyl-4-morpholinobut-2-enoate
CID 129771186
Methylacryloxyethyltrimethyl ammonium chloride
CID 129886976
ethyl (E)-4-(dimethylamino)but-2-enoate
CID 9834026
(E)-4-morpholinobut-2-enoic acid
CID 22466617
ethyl (E)-2-methyl-4-morpholin-4-ylbut-2-enoate
CID 11481293
Methyl 2-(morpholin-4-yl)-penta-2,4-dienoate
CID 73187882

Frequently Asked Questions

What is the IUPAC name of methyl (E)-4-morpholin-4-ylbut-2-enoate?
The IUPAC name of methyl (E)-4-morpholin-4-ylbut-2-enoate (CID 5374223) is methyl (E)-4-morpholin-4-ylbut-2-enoate.
What is the SMILES notation for methyl (E)-4-morpholin-4-ylbut-2-enoate?
The canonical SMILES for methyl (E)-4-morpholin-4-ylbut-2-enoate is COC(=O)/C=C/CN1CCOCC1.
What is the InChIKey of methyl (E)-4-morpholin-4-ylbut-2-enoate?
The InChIKey is AEAPTGKRZWXAMP-NSCUHMNNSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-9(11)3-2-4-10-5-7-13-8-6-10/h2-3H,4-8H2,1H3/b3-2+.
What are the key properties of methyl (E)-4-morpholin-4-ylbut-2-enoate?
methyl (E)-4-morpholin-4-ylbut-2-enoate has a molecular weight of 185.22 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-4-morpholin-4-ylbut-2-enoate is sourced from PubChem (CID 5374223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).