Monomers
Cyanomethyl 2-methylprop-2-enoate
Identifiers
IUPAC name
cyanomethyl 2-methylprop-2-enoate
InchI
InChI=1S/C6H7NO2/c1-5(2)6(8)9-4-3-7/h1,4H2,2H3
InchI Key
KXTNMKREYTVOMX-UHFFFAOYSA-N
SMILES
CC(=C)C(=O)OCC#N
Canonical SMILES
CC(=C)C(=O)OCC#N
Isomeric SMILES
CC(=C)C(=O)OCC#N
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H7NO2
Heavy Atom Count
9
Molecular Weight
125.127
Exact Molecular Weight
125.0477
Valence Electrons
48
Radical Electrons
0
tPSA
50.09
MolLogP
0.6293
H Bond Acceptors
3
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
16 15 0 0 0 0 0 0 0 0999 V2000
2.0988 -0.8460 -1.2011 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0361 -0.7165 -0.1791 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1968 -1.2789 1.0075 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1621 0.0258 -0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2677 0.5400 -1.6365 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1788 0.1788 0.4063 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.3702 0.8865 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1519 2.2806 -0.1610 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9556 3.4100 -0.4310 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9821 -0.1245 -2.0272 H 0 0 0 0 0 0 0 0 0 0 0 0
3.1197 -0.7092 -0.7413 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0849 -1.9004 -1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0
2.0851 -1.8365 1.2632 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4368 -1.1984 1.7684 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9917 0.8486 1.0811 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9624 0.4402 -0.6732 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 3
2 4 1 0
4 5 2 0
4 6 1 0
6 7 1 0
7 8 1 0
8 9 3 0
1 10 1 0
1 11 1 0
1 12 1 0
3 13 1 0
3 14 1 0
7 15 1 0
7 16 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers