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
1.9042 1.1472 1.2602 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7032 -0.0865 0.6787 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4318 -0.8388 1.0286 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3274 -1.0642 -0.1209 N 0 0 0 0 0 0 0 0 0 0 0 0
0.1377 -1.9568 -1.1534 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5103 -2.7144 -2.0192 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.5189 -0.3545 -0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0033 1.0609 -0.9791 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1669 1.4058 -2.1797 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1619 1.5054 1.9262 H 0 0 0 0 0 0 0 0 0 0 0 0
2.7994 1.6674 1.0274 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4173 -0.4718 0.0372 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0230 -0.4333 1.9165 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8690 -1.8793 1.2989 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2129 -0.1030 0.2978 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9841 -0.7812 -1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5825 1.6066 -0.1818 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2005 1.8757 -3.1046 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9153 0.4148 -2.6019 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