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

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
   -0.8496    1.5068   -0.9989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0205    0.0715   -0.6929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9468   -0.6126   -1.3146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1883   -0.6101    0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3410   -1.8327    0.5331 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8254    0.0321    0.9994 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6101   -0.7057    1.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5855    0.1744    2.5588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3639    0.8767    3.0238 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8049    1.9505   -1.3502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0623    1.5627   -1.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4470    1.9916   -0.1066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5707   -0.1185   -2.0403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1100   -1.6627   -1.1253 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0536   -1.5787    1.4307 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9024   -1.0454    2.7329 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