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
    0.6616    2.9899    0.8793 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6465    2.1174    0.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0175    1.0058   -0.4697 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3483    0.1038    0.3262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3125    0.2876    1.5585 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3027   -1.0414   -0.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9475   -1.9157    0.4698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6219   -3.0951   -0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2627   -1.2549   -1.6886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2318   -1.4248   -2.8279 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9044    4.0547    0.8480 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5846    2.6767    1.9411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3487    2.8642    0.4410 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0938    2.7143   -0.6881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4531    1.7964    0.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9932   -1.7801    1.5349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1076   -3.7069    0.6539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8311   -3.6621   -0.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3751   -2.7297   -0.8666 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