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
   -2.4845   -0.6999   -0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2861    0.1517    0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4339    1.4484    0.1555 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0388   -0.4146   -0.0445 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1463   -1.6680   -0.1761 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1966    0.3828    0.0344 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4274   -0.3089   -0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568    0.5792    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4582    1.2956    0.1283 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4305   -0.1045    0.0394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4896   -1.5070    0.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5737   -1.2243   -1.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4209    1.9162    0.2092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6000    2.1351    0.2225 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4089   -0.9127   -0.9867 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4863   -1.0690    0.7774 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