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
   -2.1136    1.0127    0.9671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7150    0.9244    0.4706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0367    2.0403    0.3119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0788   -0.3414    0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6692   -1.4457    0.2865 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2162   -0.3572   -0.2972 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9584   -1.4822   -0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4037   -2.2836   -1.7008 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9830   -2.9178   -2.5503 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6115    0.0277    0.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1972    1.4233    1.9750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7017    1.6747    0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4870    3.0111    0.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9730    1.9820   -0.0461 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1031   -2.1496    0.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9735   -1.1186   -0.9700 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