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
-2.9695 0.6449 0.0492 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6509 0.6253 0.1865 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8706 -0.5966 0.4383 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1043 -0.8628 -0.6067 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3103 -1.2162 -1.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6643 -1.4950 -2.9572 N 0 0 0 0 0 0 0 0 0 0 0 0
1.5018 -0.7414 -0.2414 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8918 0.6739 0.0457 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3461 0.9630 1.2375 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5883 -0.2410 0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5016 1.5735 -0.1349 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1272 1.5612 0.1081 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4869 -1.5147 0.5398 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3556 -0.4798 1.4326 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1447 -1.1811 -1.0393 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6468 -1.3594 0.6721 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7927 1.4063 -0.7144 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6348 1.9907 1.4605 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4621 0.2490 2.0426 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