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
3.1335 -0.5242 -0.5122 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2943 -0.1359 0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0626 -0.9211 0.8164 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0764 -0.0250 0.5139 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2738 1.1354 1.2503 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4447 2.0887 1.8660 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0059 -0.3568 -0.5375 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9096 0.8026 -0.7522 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2211 0.7871 -0.6218 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9987 0.0682 -0.7447 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9739 -1.4335 -1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4764 0.8012 0.9878 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1422 -1.0923 1.8903 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0335 -1.8569 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5518 -0.7598 -1.4539 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6794 -1.1976 -0.1526 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3978 1.7406 -1.0438 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7776 1.7108 -0.8114 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.7771 -0.0948 -0.3374 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