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
2.8543 -0.2843 -1.1233 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0653 0.2106 -0.1956 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0438 1.2170 -0.5542 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3183 0.8039 -0.2776 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3609 1.5962 -0.4997 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3456 2.3253 -0.7232 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5115 -0.5173 0.3014 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9019 -0.9801 0.3244 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5168 -1.2422 1.4496 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6282 -1.0207 -0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7655 0.0315 -2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1671 -0.1214 0.8211 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1564 1.4850 -1.6308 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2819 2.1344 0.0357 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1340 -0.5634 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1076 -1.2594 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4144 -1.1005 -0.6162 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5349 -1.5840 1.4336 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0318 -1.1306 2.4065 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