Monomers

Ethyl 2-cyanocrotonate

Identifiers

IUPAC name
ethyl (E)-2-cyanobut-2-enoate
InchI
InChI=1S/C7H9NO2/c1-3-6(5-8)7(9)10-4-2/h3H,4H2,1-2H3/b6-3+
InchI Key
WIUDWAAJQVNSOH-ZZXKWVIFSA-N
SMILES
CCOC(=O)/C(=C/C)/C#N
Canonical SMILES
CCOC(=O)C(=CC)C#N
Isomeric SMILES
CCOC(=O)/C(=C/C)/C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
50.09
MolLogP
1.0194
H Bond Acceptors
3
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0

MOL File


     RDKit          3D

 19 18  0  0  0  0  0  0  0  0999 V2000
    2.7176   -0.5968    1.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8600    0.6212    1.7012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5696    0.4542    1.0932 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4789    0.2404   -0.2712 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5543    0.2033   -0.9167 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7567    0.0583   -0.9993 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9064    0.0900   -0.3612 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2157   -0.0890   -1.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7846   -0.1588   -2.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8008   -0.3539   -3.5498 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0268   -0.9788    2.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1189   -1.3339    0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5910   -0.3342    0.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7402    0.8446    2.7792 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3565    1.5125    1.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9299    0.2541    0.7206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5212   -1.1484   -0.8871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1723    0.1045   -2.1203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9261    0.6108   -0.5678 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  2  3
  7  8  1  0
  6  9  1  0
  9 10  3  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  2 15  1  0
  7 16  1  0
  8 17  1  0
  8 18  1  0
  8 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers