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
Resources
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
-1.0726 0.5780 -0.1251 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3649 -0.7139 -0.2951 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8603 -0.7916 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5042 0.2988 0.8797 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0386 1.1780 1.4259 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.7961 0.9903 0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6706 1.2627 -0.9134 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.1700 0.4753 -0.1648 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7811 -1.5692 -0.7878 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4523 -1.7084 0.1208 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