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
2.9676 1.5788 0.5792 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9348 1.3019 -0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1514 0.0630 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2232 0.2675 0.3547 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5683 0.7899 1.6088 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8489 1.2140 2.6737 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3285 -0.0160 -0.5366 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5304 -1.4284 -0.8558 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.6197 -2.1389 -0.5822 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2596 0.8891 1.3540 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5223 2.4854 0.4304 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6387 1.9858 -0.9505 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6240 -0.5178 0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2661 -0.6255 -0.8539 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0956 0.5417 -1.4880 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2956 0.3786 -0.1447 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7200 -1.9504 -1.3637 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4410 -1.6577 -0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6936 -3.1610 -0.8483 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