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
-2.8846 0.8596 -1.2307 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3757 0.3179 -0.1488 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3216 -0.7133 -0.2407 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0981 -0.3003 0.4341 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1390 -0.1990 1.8288 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1577 -0.1188 2.9750 N 0 0 0 0 0 0 0 0 0 0 0 0
1.0602 -0.0244 -0.3698 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2333 0.3957 0.3954 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3495 -0.3157 0.3364 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5473 0.5669 -2.2334 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6555 1.6137 -1.1687 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7244 0.6215 0.8158 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7078 -1.6214 0.2684 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1445 -0.9662 -1.2951 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8305 0.7926 -1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3010 -0.9484 -0.9307 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2560 1.2883 1.0378 H 0 0 0 0 0 0 0 0 0 0 0 0
3.4712 -1.2199 -0.2554 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2545 -0.0288 0.9000 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