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
-1.4710 -0.2940 0.2759 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1846 0.4128 -0.0135 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9376 -0.2714 -0.1322 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1642 0.4277 -0.4108 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1611 0.9996 -0.6170 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7210 -0.0804 1.3288 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2812 0.0477 -0.4025 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3324 -1.3770 0.1120 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1844 1.4919 -0.1244 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9116 -1.3570 -0.0162 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