Monomers

Diallylcyanamide

Identifiers

IUPAC name
bis(prop-2-enyl)cyanamide
InchI
InChI=1S/C7H10N2/c1-3-5-9(7-8)6-4-2/h3-4H,1-2,5-6H2
InchI Key
ZOSAYFDMPYAZTB-UHFFFAOYSA-N
SMILES
C=CCN(C#N)CC=C
Canonical SMILES
C=CCN(CC=C)C#N
Isomeric SMILES
C=CCN(CC=C)C#N
Resources

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C7H10N2
Heavy Atom Count
9
Molecular Weight
122.171
Exact Molecular Weight
122.0844
Valence Electrons
48
Radical Electrons
0
tPSA
27.03
MolLogP
1.1415
H Bond Acceptors
2
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

 19 18  0  0  0  0  0  0  0  0999 V2000
    3.0461    0.7492    0.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7236    0.8387    0.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340    0.6436   -0.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0044   -0.4507   -0.8344 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5570   -1.7454   -0.7500 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0187   -2.8003   -0.6613 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4286   -0.3354   -0.7953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9567    0.2889    0.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7859   -0.4069    1.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6087    0.5253   -0.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5942    0.8948    1.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1885    1.0573    1.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4586    1.6049   -1.1971 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6334    0.3438   -1.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8637   -1.3586   -0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7115    0.2955   -1.6966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7138    1.2842    0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0879   -1.4250    0.9508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2104   -0.0038    2.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  3  0
  4  7  1  0
  7  8  1  0
  8  9  2  3
  1 10  1  0
  1 11  1  0
  2 12  1  0
  3 13  1  0
  3 14  1  0
  7 15  1  0
  7 16  1  0
  8 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers