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
-0.9130 3.0342 0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7323 1.9301 1.3322 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3379 0.9523 0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2612 -0.3283 0.7048 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8853 -1.0399 1.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4048 -1.6515 2.6151 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2384 -0.9009 -0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0966 -1.3338 -1.0838 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3082 -2.6049 -1.3688 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2436 3.2149 -0.2157 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6841 3.7600 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3534 1.6587 2.2017 H 0 0 0 0 0 0 0 0 0 0 0 0
1.0622 0.8167 1.8337 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9091 1.3583 0.1510 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7035 -0.1727 -1.3538 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9651 -1.7639 -0.6568 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9086 -0.6416 -1.1993 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2838 -2.9905 -1.7235 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4784 -3.2970 -1.2456 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