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
    2.6747    0.9238   -0.6420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2183    0.8184    0.7830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1768   -0.0871    0.9944 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0617   -0.0419    0.4324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3261    0.8918   -0.3574 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1182   -1.0271    0.6952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3095   -0.9671    0.1427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7486    0.0850   -0.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8536   -2.1320    1.6094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6330   -3.0162    2.3234 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1826   -0.0317   -0.9082 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4236    1.7428   -0.6880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8740    1.1927   -1.3516 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0872    0.5260    1.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9181    1.8303    1.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0235   -1.7352    0.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7956   -0.0958   -1.1332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6407    1.0665   -0.3088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0446    0.0570   -1.6767 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