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
3.2749 1.0308 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3671 0.2830 -0.6943 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3193 -0.2218 0.2376 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0682 0.3180 0.0297 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2422 1.5865 0.2067 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4436 2.8887 0.3878 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0233 -0.7795 -0.0791 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3351 -0.6138 -0.7086 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4548 -0.7776 0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1958 1.1970 1.0404 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0807 1.4762 -0.5531 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4350 0.1087 -1.7083 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1805 -1.3342 -0.1776 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5842 -0.2452 1.2325 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5457 -1.6505 -0.6199 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1290 -1.2073 0.9776 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4318 -0.3476 -1.7516 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.3649 -1.0039 1.0862 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.3988 -0.7076 -0.5069 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