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
1.2278 -0.1299 0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1619 0.7819 -0.1980 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1011 0.4371 -0.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5084 -0.8950 0.0548 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8581 -1.9811 0.3155 N 0 0 0 0 0 0 0 0 0 0 0 0
2.1454 0.1275 -0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9199 -1.1670 -0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4369 -0.1078 1.3082 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4261 1.7956 -0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8504 1.1386 -0.5891 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