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
   -2.0799   -1.2988   -0.5734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2352   -0.0920   -0.4197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6882    1.0917   -0.7604 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1157   -0.1812    0.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6295   -1.2786    0.4626 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9186    0.9385    0.2608 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2107    0.8311    0.7714 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0794   -0.0266   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7736   -0.7027   -0.6389 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4283   -2.1754   -0.7585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6842   -1.1545   -1.5044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7148   -1.5020    0.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0693    1.9632   -0.6461 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6809    1.2595   -1.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6330    1.8717    0.8263 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2202    0.4562    1.8227 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