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