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
   -2.1427   -0.9631   -0.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2130    0.0351   -0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7130    1.0411    0.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2314   -0.0515   -0.2426 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7386   -1.0120   -0.8879 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0741    0.8988    0.3116 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4704    0.7470    0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8096   -0.5595    0.7433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0745   -1.5681    1.2413 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8516   -0.5003   -1.4004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7057   -1.4559    0.1542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5947   -1.7675   -1.2252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7768    1.1707    0.7268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0886    1.7988    1.0221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6304    0.6558   -0.9704 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0571    1.5307    0.5958 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