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
   -2.3280    0.3299    0.6591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0370   -0.3833    0.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8122   -1.4618    1.2442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0283    0.1111   -0.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2479    1.1450   -1.0617 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2052   -0.5010   -0.5559 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1732    0.0034   -1.4531 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5888    1.3637   -1.1244 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9261    2.4253   -0.8823 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2673    0.9124    1.6082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4655    0.9920   -0.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1656   -0.3846    0.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5257   -1.8784    1.9402 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1337   -1.9678    1.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0748   -0.6459   -1.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7759   -0.0600   -2.4812 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