ethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate

C16H21NO2 — CID 142695947

IUPACethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate
SMILESC=Cc1cccc(/C=C(\C)C(=O)OCC)c1N(C)C
InChIInChI=1S/C16H21NO2/c1-6-13-9-8-10-14(15(13)17(4)5)11-12(3)16(18)19-7-2/h6,8-11H,1,7H2,2-5H3/b12-11+
InChIKeyGXUKMNYBPXZRPA-VAWYXSNFSA-N
MW259.35 g/mol
LogP3.36
Rot. Bonds5

About ethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate

ethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate (PubChem CID 142695947) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is ethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate
PubChem CID142695947
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Nameethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate
SMILESC=Cc1cccc(/C=C(\C)C(=O)OCC)c1N(C)C
InChIInChI=1S/C16H21NO2/c1-6-13-9-8-10-14(15(13)17(4)5)11-12(3)16(18)19-7-2/h6,8-11H,1,7H2,2-5H3/b12-11+
InChIKeyGXUKMNYBPXZRPA-VAWYXSNFSA-N
XLogP3.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-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 (E)-2-methyl-3-naphthalen-1-ylprop-2-enoate
CID 88621267
ethyl (E)-2-methyl-3-(2-prop-2-enoxyphenyl)prop-2-enoate
CID 15292046
2-aminoethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
CID 139677366
2-acetyloxyethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
CID 139889525
ethyl (E)-3-[2-amino-3-(1-aminoethyl)phenyl]-2-methylprop-2-enoate
CID 166140297
oxiran-2-ylmethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
CID 139607372
ethyl 2-methyl-3-[2-(propylcarbamoyl)phenyl]prop-2-enoate
CID 69055286
ethyl 3-[2-(2-hydroxyethylcarbamoyl)phenyl]-2-methylprop-2-enoate
CID 159370599
ethyl (E)-2-methyl-3-[2-(2-methylpropylcarbamoyl)phenyl]prop-2-enoate
CID 69060486
1,1,2-trifluoroethyl (E)-3-(2-ethenylphenyl)-2-methylprop-2-enoate
CID 139915858
ethyl (E)-3-(3-ethoxyphenyl)-2-methylprop-2-enoate
CID 104503552
ethyl (E)-3-(3-methoxyphenyl)-2-methylprop-2-enoate
CID 104503715

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate?
The IUPAC name of ethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate (CID 142695947) is ethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate?
The canonical SMILES for ethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate is C=Cc1cccc(/C=C(\C)C(=O)OCC)c1N(C)C.
What is the InChIKey of ethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate?
The InChIKey is GXUKMNYBPXZRPA-VAWYXSNFSA-N. The full InChI is InChI=1S/C16H21NO2/c1-6-13-9-8-10-14(15(13)17(4)5)11-12(3)16(18)19-7-2/h6,8-11H,1,7H2,2-5H3/b12-11+.
What are the key properties of ethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate?
ethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate has a molecular weight of 259.35 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[2-(dimethylamino)-3-ethenylphenyl]-2-methylprop-2-enoate is sourced from PubChem (CID 142695947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).