Monomers
Crotononitrile
Identifiers
IUPAC name
(E)-but-2-enenitrile
InchI
InChI=1S/C4H5N/c1-2-3-4-5/h2-3H,1H3/b3-2+
InchI Key
NKKMVIVFRUYPLQ-NSCUHMNNSA-N
SMILES
C/C=C/C#N
Canonical SMILES
CC=CC#N
Isomeric SMILES
C/C=C/C#N
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C4H5N
Heavy Atom Count
5
Molecular Weight
67.091
Exact Molecular Weight
67.0422
Valence Electrons
26
Radical Electrons
0
tPSA
23.79
MolLogP
1.0861
H Bond Acceptors
1
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
10 9 0 0 0 0 0 0 0 0999 V2000
-0.1203 -0.6990 1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6246 -0.4381 -0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1503 0.5157 -0.9439 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9075 1.3407 -0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7474 2.0160 0.0113 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1230 0.2371 1.8067 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6209 -1.5403 1.6712 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9587 -0.9991 1.0524 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4160 -1.0853 -0.5345 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5585 0.6523 -1.9304 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
3 4 1 0
4 5 3 0
1 6 1 0
1 7 1 0
1 8 1 0
2 9 1 0
3 10 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers