methyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate

C9H15NO3 — CID 13169442

IUPACmethyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate
SMILESCOC(=O)/C(C)=C/N1CCOCC1
InChIInChI=1S/C9H15NO3/c1-8(9(11)12-2)7-10-3-5-13-6-4-10/h7H,3-6H2,1-2H3/b8-7+
InChIKeyQXQUCHAOKKUIAW-BQYQJAHWSA-N
MW185.22 g/mol
LogP0.40
Rot. Bonds2

About methyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate

methyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate (PubChem CID 13169442) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate
PubChem CID13169442
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate
SMILESCOC(=O)/C(C)=C/N1CCOCC1
InChIInChI=1S/C9H15NO3/c1-8(9(11)12-2)7-10-3-5-13-6-4-10/h7H,3-6H2,1-2H3/b8-7+
InChIKeyQXQUCHAOKKUIAW-BQYQJAHWSA-N
XLogP0.40
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
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'}

Analyze methyl (E)-2-methyl-3-morpholin-4-ylprop-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

Diethylaminoethyl Methacrylate
CID 61012
(Dimethylamino)ethyl methacrylate
CID 17869
2-Propenoic acid, 3-(4-morpholinyl)-, methyl ester, (E)-
CID 6149603
2-Morpholinoethyl methacrylate
CID 76343
ethyl (2E)-3-(morpholin-4-yl)prop-2-enoate
CID 12744625
ethyl (E)-2-cyano-3-morpholin-4-ylprop-2-enoate
CID 722701
2-Cyano-3-(4-morpholinyl)-2-propenoic acid ethyl ester
CID 1551079
Methacrylylcholine
CID 78739
Diethylaminoethyl methacrylate hydrochloride
CID 84344
2-Cyano-3-morpholin-4-YL-acrylic acid ethyl ester
CID 246644
Ethyl 3-(morpholin-4-yl)prop-2-enoate
CID 71421025
Methyl 2-[(4-methylmorpholin-4-ium-4-yl)methyl]prop-2-enoate
CID 127038344

Frequently Asked Questions

What is the IUPAC name of methyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate?
The IUPAC name of methyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate (CID 13169442) is methyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate.
What is the SMILES notation for methyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate?
The canonical SMILES for methyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate is COC(=O)/C(C)=C/N1CCOCC1.
What is the InChIKey of methyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate?
The InChIKey is QXQUCHAOKKUIAW-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H15NO3/c1-8(9(11)12-2)7-10-3-5-13-6-4-10/h7H,3-6H2,1-2H3/b8-7+.
What are the key properties of methyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate?
methyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate has a molecular weight of 185.22 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-methyl-3-morpholin-4-ylprop-2-enoate is sourced from PubChem (CID 13169442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).