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
3.0238 0.0690 1.2459 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0055 0.4995 0.6927 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8100 0.9809 0.0317 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1125 0.0392 -0.7570 N 0 0 0 0 0 0 0 0 0 0 0 0
0.8552 -0.5278 -1.9491 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3662 -0.9321 -2.8050 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0875 -0.6610 -0.5163 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3640 0.0481 -0.3842 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1382 -0.0164 0.6695 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6083 0.6902 1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5318 -0.9107 1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8953 -0.7346 0.0222 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0450 1.3533 0.8323 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0113 1.9439 -0.5437 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2576 -1.4930 -1.3137 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9476 -1.3191 0.4291 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6743 0.6463 -1.2513 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0609 0.4198 0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7349 -0.6752 1.5274 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