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
    1.8316    1.7347    2.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8634    0.6705    2.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6527    0.6160    0.7933 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2056   -0.3027    0.2541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7920   -1.0896    1.0664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4790   -0.4266   -1.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3252   -1.3427   -1.6133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6297   -1.5006   -3.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1556    0.4326   -2.1222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6892    1.1423   -2.8955 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2579    2.6413    2.9261 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5484    1.4367    3.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3930    2.0326    1.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1631   -0.3204    2.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1468    0.8965    2.6379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8246   -2.0104   -0.9175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3434   -0.6895   -3.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7044   -1.4343   -3.6670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1042   -2.4864   -3.2229 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