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
    3.0830    0.4670    0.9826 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8981   -0.0405    1.7224 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6848    0.0363    1.0544 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3600   -0.5599   -0.1367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2657   -1.2474   -0.6721 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9625   -0.4088   -0.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8922    0.3178   -0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2349    0.4938   -0.7606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2492   -1.0582   -2.0078 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4789   -1.5866   -3.0184 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9693   -0.1381    1.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768    0.3531   -0.1035 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3007    1.5380    1.1444 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1060   -1.0762    2.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7985    0.5851    2.6569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6681    0.7952    0.7595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3282   -0.0069   -1.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9674   -0.0174   -0.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5616    1.5536   -0.7911 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