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
   -0.8846   -2.0827    0.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9687   -0.6579    0.4104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0730    0.0607    0.5916 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1994   -0.0842   -0.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2175   -0.7738   -0.3596 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1549    1.2346   -0.5996 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3403    1.7689   -1.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4569    1.6957   -0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3797    1.6315    0.4230 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8114   -2.4496    1.2882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6675   -2.6850   -0.1005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0384   -2.1857    1.5391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9039   -0.4273    1.0517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0823    1.0873    0.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5615    1.0862   -2.0675 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1198    2.7813   -1.5707 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