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
-3.0828 0.0126 0.8482 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0496 -0.7173 0.5369 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3899 -0.5890 -0.7604 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0259 -0.1898 -0.7057 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7119 -0.1774 -1.8897 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3137 -0.1547 -2.8670 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6684 0.2406 0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0578 0.5538 0.2974 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2085 0.8122 0.1315 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5613 -0.0882 1.8012 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4808 0.7382 0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7078 -1.4347 1.3127 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4503 -1.6066 -1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9439 0.1782 -1.3590 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4399 -0.3657 1.3614 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1771 1.2747 0.7642 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4248 -0.5152 1.1585 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1328 0.3938 0.5652 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5575 1.6344 -0.6030 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