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
-2.7977 -0.9084 1.0502 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8876 -0.7691 0.1103 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4731 0.5663 -0.3631 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0571 0.8092 -0.1600 N 0 0 0 0 0 0 0 0 0 0 0 0
0.5324 2.0136 -0.5405 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0210 3.0384 -0.8487 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7062 -0.2633 0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1282 0.1073 0.6075 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0807 -0.5966 0.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2426 -0.0203 1.4756 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1113 -1.8791 1.4069 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4393 -1.6450 -0.3191 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0177 1.3865 0.1675 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6973 0.6487 -1.4658 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6430 -1.1393 -0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2151 -0.4649 1.4344 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4046 0.9636 1.1972 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1372 -0.3649 0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8553 -1.4827 -0.5871 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