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
1.3265 1.5826 -1.3746 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1447 1.0453 -1.1732 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0597 -0.3880 -1.4802 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4350 -1.2163 -0.3759 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.4429 -2.6484 -0.5976 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4598 -3.8015 -0.7588 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8373 -0.7678 0.8848 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2226 -0.0697 1.7081 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0804 1.1748 2.0260 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5577 2.5800 -1.1813 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1102 0.9412 -1.7728 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.6417 1.6749 -0.7928 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9320 -0.4290 -2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8486 -0.7941 -1.9848 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7903 -0.1582 0.8791 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1467 -1.6453 1.5416 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1331 -0.5559 1.9934 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5172 1.8503 2.5997 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0347 1.6253 1.6847 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