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
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
2.3765 0.1017 1.4928 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9231 0.8354 0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5345 0.5895 -0.0164 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1011 -0.7027 -0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9688 -1.6091 -0.2012 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.2910 -1.0596 -0.5349 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2319 -0.1454 -0.5925 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9630 1.3000 -0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6689 -2.4231 -0.7640 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9761 -3.5405 -0.9310 N 0 0 0 0 0 0 0 0 0 0 0 0
2.5846 0.8063 2.3291 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5958 -0.6021 1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2657 -0.5377 1.2642 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5510 0.5025 -0.6183 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1048 1.9250 0.3608 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2390 -0.4549 -0.8073 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5142 1.5094 0.6182 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8959 1.8794 -0.4219 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2259 1.6260 -1.1457 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