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
-2.8620 -0.7857 0.7015 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8105 -1.3810 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0910 -0.8160 -0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1836 -0.4111 -0.4686 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2572 -1.1759 -0.0635 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1596 -1.8175 0.2912 N 0 0 0 0 0 0 0 0 0 0 0 0
0.3856 1.0883 -0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7675 1.2860 0.1983 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2703 1.7298 1.2799 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5166 -0.0332 0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2259 -1.3724 1.7159 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3483 -2.2816 0.7624 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1292 -1.5630 -1.7012 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6774 0.0801 -1.2945 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3016 1.5196 -1.3117 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4004 1.4924 0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0
2.5054 0.9309 -0.6455 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6680 2.0757 2.1228 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5625 1.4350 0.8748 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