ethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate

C13H15NO3 — CID 153370255

IUPACethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate
SMILESC=C(OC(=C)c1ccccc1N)C(=O)OCC
InChIInChI=1S/C13H15NO3/c1-4-16-13(15)10(3)17-9(2)11-7-5-6-8-12(11)14/h5-8H,2-4,14H2,1H3
InChIKeyVPQYGLYQLSMOAQ-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.33
Rot. Bonds5

About ethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate

ethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate (PubChem CID 153370255) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is ethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate.

Molecular Properties

Compound Nameethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate
PubChem CID153370255
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Nameethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate
SMILESC=C(OC(=C)c1ccccc1N)C(=O)OCC
InChIInChI=1S/C13H15NO3/c1-4-16-13(15)10(3)17-9(2)11-7-5-6-8-12(11)14/h5-8H,2-4,14H2,1H3
InChIKeyVPQYGLYQLSMOAQ-UHFFFAOYSA-N
XLogP2.33
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 2-[1-(2-aminophenyl)ethenoxy]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

Related Compounds

ethyl 2-(2-aminophenyl)but-2-enoate
CID 165178823
2-but-1-en-2-ylaniline
CID 10582919
ethyl 2-methylprop-2-enoate;phthalic acid
CID 66831473
(3-ethoxy-3-oxoprop-1-en-2-yl) 2-methylidenebutanoate
CID 67864826
ethyl 2-(2-iodophenyl)prop-2-enoate
CID 131700037
2-aminobenzoic acid;propanoic acid
CID 67067565
methyl 2-(3-ethoxy-3-oxoprop-1-en-2-yl)benzoate
CID 101193966
(3-ethoxy-3-oxoprop-1-en-2-yl) 3,5-diaminobenzoate
CID 155673858
ethyl 2-[2-(2-methylprop-2-enoxy)phenyl]-2-oxoacetate
CID 117373306
3-(1-ethoxyethenyl)-2-fluoroaniline
CID 165464592
ethyl (2R)-2-[(2-aminobenzoyl)amino]propanoate
CID 59756243
2-(2-ethoxyethoxy)ethyl 2-aminobenzoate
CID 82096864

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate?
The IUPAC name of ethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate (CID 153370255) is ethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate.
What is the SMILES notation for ethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate?
The canonical SMILES for ethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate is C=C(OC(=C)c1ccccc1N)C(=O)OCC.
What is the InChIKey of ethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate?
The InChIKey is VPQYGLYQLSMOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-4-16-13(15)10(3)17-9(2)11-7-5-6-8-12(11)14/h5-8H,2-4,14H2,1H3.
What are the key properties of ethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate?
ethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate has a molecular weight of 233.27 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-(2-aminophenyl)ethenoxy]prop-2-enoate is sourced from PubChem (CID 153370255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).