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
-2.2646 0.9354 0.9424 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8861 -0.2019 0.3688 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6982 -0.9935 0.7699 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2498 -1.1413 -0.3152 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.1089 -1.9374 -1.4071 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4127 -2.5825 -2.3244 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5165 -0.4694 -0.2496 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3879 1.0033 -0.3588 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8081 1.7924 0.6365 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1745 1.4001 0.5245 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7693 1.4199 1.7496 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4531 -0.6275 -0.4658 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2106 -0.6363 1.6799 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1143 -2.0079 1.0492 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1769 -0.8135 -1.0758 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0429 -0.7567 0.6942 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9442 1.4115 -1.2690 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2386 1.3402 1.5100 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7277 2.8651 0.5861 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