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
-0.9073 0.5128 -0.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3540 -0.7466 -0.2944 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7151 -0.7467 0.4615 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4160 0.4638 0.7719 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9909 1.4599 1.0348 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0683 1.2059 -1.1047 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5572 0.9863 -0.1177 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4840 0.2255 -1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8403 -1.6876 -0.4943 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0891 -1.6734 0.8614 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