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
   -2.3262   -0.7973   -0.0346 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1932    0.0717    0.4299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4853    1.1798    1.0868 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1728   -0.2933    0.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4811   -1.3422   -0.4566 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2018    0.5156    0.5996 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5453    0.1688    0.3475 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7046    0.0935   -1.1045 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8501    0.0302   -2.2486 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9673   -1.8400   -0.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2019   -0.6613    0.6406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5560   -0.5104   -1.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5026    1.4755    1.2970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7007    1.8333    1.4386 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7334   -0.8244    0.8185 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2441    0.9008    0.7858 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