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
   -1.4012   -0.1833    0.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2319   -0.2173   -0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9229    0.3135   -0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0544    0.2913   -1.0975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9827    0.2710   -1.8297 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0403   -0.4400    1.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1508   -0.9553    0.0227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8459    0.8220    0.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3040   -0.6829   -1.5481 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0140    0.7811    0.7278 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