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
-2.8394 -0.4950 0.1298 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0002 -1.1391 -0.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5909 -0.7753 -0.8171 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1778 0.3554 -0.0311 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.6564 1.6243 -0.3345 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0708 2.6915 -0.5732 N 0 0 0 0 0 0 0 0 0 0 0 0
0.7422 0.2173 1.1057 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1099 -0.1358 0.7151 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1357 0.6452 1.0069 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.8942 -0.7923 0.2286 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5705 0.3659 0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3693 -1.9880 -1.2187 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0517 -1.6453 -0.5624 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3966 -0.6011 -1.9177 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2768 -0.4614 1.8548 H 0 0 0 0 0 0 0 0 0 0 0 0
0.7987 1.2141 1.6370 H 0 0 0 0 0 0 0 0 0 0 0 0
2.3242 -1.0478 0.1759 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9818 1.5754 1.5469 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1450 0.3920 0.7220 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