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
-1.0431 -0.3188 0.6016 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0299 -0.7470 -0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0104 -0.0004 -0.7158 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1452 1.2800 -0.0522 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2732 2.3094 0.4758 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6798 -0.3845 1.6320 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3152 0.7491 0.3547 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9938 -0.8865 0.4395 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1169 -1.6986 -0.8999 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7499 -0.3026 -1.4386 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