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
-2.3281 -2.4856 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9762 -1.2138 0.1735 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9970 -0.5914 -0.7654 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1507 -0.1618 0.0330 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9919 -1.1040 0.6276 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7183 -1.8931 1.1223 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3496 1.2616 0.1702 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5334 1.6022 0.9964 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5527 2.3051 0.5537 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9116 -3.0643 -0.8138 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0452 -2.9059 0.7048 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3712 -0.6042 0.9734 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4296 0.2630 -1.3139 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6203 -1.3321 -1.5064 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5326 1.7630 0.6307 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4492 1.7363 -0.8452 H 0 0 0 0 0 0 0 0 0 0 0 0
1.5367 1.2422 2.0161 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5457 2.6615 -0.4604 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3837 2.5212 1.1987 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