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
2.1677 1.1037 -0.7678 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7847 -0.1673 -0.7629 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0758 -0.7483 0.4208 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2193 -1.2121 -0.0179 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2715 -2.3116 -0.8797 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3303 -3.2423 -1.5927 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4368 -0.5588 0.4208 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5887 0.8130 -0.1291 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6741 1.8640 0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6711 1.4854 -1.6285 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9566 1.7126 0.1045 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9632 -0.8331 -1.5990 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0578 -0.0846 1.2811 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6514 -1.6610 0.7382 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3201 -1.1989 0.1682 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4387 -0.5213 1.5473 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6289 0.9409 -1.2029 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7854 2.8745 0.3058 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6343 1.7453 1.7501 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