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
2.2858 -0.4133 1.2996 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4796 0.5673 0.8299 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3198 0.6885 -0.6335 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0255 0.5728 -1.1288 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2819 0.4372 -2.4689 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5042 0.3376 -3.6605 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.1464 0.6262 -0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3057 -0.5101 0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3933 -1.2696 0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4578 -0.5736 2.3509 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7959 -1.0828 0.6051 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9906 1.2174 1.5046 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7329 1.7160 -0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0056 -0.0388 -1.1784 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0980 0.7164 -0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1005 1.5958 0.3898 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5223 -0.7468 1.3784 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4658 -2.1257 1.3626 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2244 -1.1212 0.0021 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