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
   -1.9898   -0.7395    0.5371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1801    0.5029    0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6983    1.6733    0.7618 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2127    0.4307    0.0355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9464    1.4530   -0.0502 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7795   -0.7768   -0.2881 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1225   -0.8888   -0.7004 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0148   -0.4065    0.3225 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7206   -0.0167    1.1450 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2601   -1.1286   -0.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9183   -0.5859    1.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4189   -1.5287    1.0774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0921    2.5690    0.6977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7411    1.6974    1.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2128   -0.2982   -1.6535 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2893   -1.9566   -0.9733 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