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
    1.4934    1.4724   -1.8321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6753    0.3131   -2.3505 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4848   -0.6034   -1.3090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1570   -0.2813   -0.1246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5837    0.9033    0.0013 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3325   -1.2698    0.9332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9435   -0.9646    2.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4908    0.3865    2.3378 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1798   -2.5977    0.7176 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5948   -3.6671    0.5632 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5239    1.4875   -2.2930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9888    2.4144   -2.1566 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5757    1.4233   -0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2993    0.6713   -2.7776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2492   -0.1571   -3.1609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0572   -1.7199    2.8252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9894    0.4324    3.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2754    0.6527    1.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6370    1.1041    2.3258 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