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
    0.5874    0.3422    2.9983 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1640    1.6118    2.2897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4615    1.2189    1.0715 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2651    0.4962    0.1642 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4463    0.2072    0.4285 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3162    0.0697   -1.0808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3884   -0.6241   -1.9489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2451   -1.0555   -3.2373 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6940    0.4304   -1.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7921    0.7330   -1.5328 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6827    0.2442    2.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3701    0.4794    4.0992 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0300   -0.5127    2.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5547    2.1913    2.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0492    2.2302    2.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4064   -0.9122   -1.8032 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4973   -1.2755   -4.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8536   -1.9753   -2.9892 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9695   -0.2806   -3.5281 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