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
   -1.9930    0.6601   -0.6424 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2368   -0.3670    0.1236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8964   -1.2650    0.8195 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2242   -0.4041    0.1227 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8796   -1.2584    0.7592 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9347    0.5305   -0.6019 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3390    0.4791   -0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9072    0.6268    0.7384 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3600    0.7273    1.8133 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7970    1.0323    0.0334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3002    1.4724   -0.9497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4337    0.1536   -1.5341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3737   -2.0160    1.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9736   -1.2318    0.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6665   -0.4650   -1.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6931    1.3252   -1.2307 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