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
2.7180 -0.3430 0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9341 -0.9111 -0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4716 -0.9580 -0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0571 -0.3407 0.6881 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1768 -0.9105 1.9263 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3849 -1.3926 2.9577 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8353 0.8909 0.5181 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1029 0.5830 -0.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3719 1.1588 -1.3255 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7997 -0.3073 0.2119 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3079 0.1255 1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4245 -1.3519 -1.4678 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0364 -0.4950 -1.4255 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1703 -2.0429 -0.4374 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2354 1.6532 -0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0352 1.2623 1.5449 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.8224 -0.1062 0.2474 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2937 0.9672 -1.8779 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6703 1.8497 -1.7620 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