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
2.6454 0.4164 -1.8109 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8183 0.5954 -0.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3981 0.9037 -1.1043 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5494 -0.1432 -0.7863 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5958 -1.2827 -1.6063 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6530 -2.2686 -2.3011 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.4859 -0.0074 0.2753 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9383 -0.0027 1.6473 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2858 -0.9420 2.5595 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6606 0.2006 -2.0345 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0914 0.5332 -2.9070 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1277 0.5146 0.1560 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2133 1.7536 -0.3459 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1127 1.4048 -2.0435 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0704 0.9897 0.1310 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3099 -0.7648 0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2451 0.7352 1.9891 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0148 -1.6705 2.1186 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9189 -0.9654 3.5503 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