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
cid=

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
   -2.2141    0.6795    0.8025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7330    0.5518    0.9620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1252    0.8328    2.0855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068    0.0801   -0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5644   -0.1896   -1.2996 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4091   -0.0852   -0.1724 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167   -0.5725   -1.3847 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4628   -1.8877   -1.6647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0027   -2.9690   -1.9166 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6815    0.1852    1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5539    0.2989   -0.1529 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4821    1.7649    0.8726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5373    1.1698    2.9967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9681    0.6962    2.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8987    0.1290   -2.2099 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1265   -0.6840   -1.2053 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