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
    3.0074   -0.7943   -0.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2108    0.1605   -1.3563 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0954    0.6878   -0.6963 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1132   -0.1707   -0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2779   -1.4006   -0.4290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0625    0.3412    0.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0121   -0.4584    0.9135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1979    0.0979    1.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1892    1.7638    0.6550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3117    2.9172    0.8144 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0268   -0.3497   -0.3565 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5844   -0.9216    0.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1261   -1.7631   -1.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8382    1.0330   -1.6911 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9076   -0.3489   -2.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8873   -1.5301    0.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8796   -0.7354    1.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7380    0.8085    0.9371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9095    0.6628    2.5246 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