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
-1.4211 -0.5392 0.1385 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0439 -0.3305 0.2368 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6865 0.5880 -0.4617 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1037 0.7740 -0.3524 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2505 0.9127 -0.2799 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.9157 0.4495 -0.0869 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8190 -0.9129 1.1103 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6766 -1.2097 -0.7022 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5858 -0.9700 0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1621 1.2381 -1.1469 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