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
3.1004 0.2651 -1.5045 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4803 0.3276 -0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3261 -0.4789 -0.1763 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0192 -0.2120 0.0672 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8832 -1.4466 -0.3306 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6586 -2.5225 -0.6906 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8482 0.7816 0.6616 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1212 0.3244 1.1234 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3462 0.4978 0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6724 -0.3719 -2.3436 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0151 0.7649 -1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9124 1.0030 0.4353 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6286 -1.1461 0.8944 H 0 0 0 0 0 0 0 0 0 0 0 0
1.4347 -1.3430 -0.9330 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7868 1.8121 0.2407 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2555 0.9201 1.7306 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0690 -0.4955 1.9845 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3172 1.1479 -0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2647 0.1720 1.1129 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