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
-0.4789 0.1279 1.0878 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7617 -0.2997 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1936 -0.2429 -1.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4863 0.2356 -0.8063 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5267 0.6211 -0.4722 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3142 1.2378 1.1280 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4685 -0.3356 1.4887 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3062 -0.1290 1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7572 -0.6490 -0.5160 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0568 -0.5662 -2.1957 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