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
   -0.9745   -2.3801    0.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7942   -1.0098   -0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5234   -0.5404   -1.2479 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2254   -0.1532    0.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9396   -0.5820    1.2624 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4589    1.1425   -0.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4747    1.8746    0.5459 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5696    3.2027   -0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6418    4.2601   -0.5059 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3949   -2.3941    1.2839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6964   -2.9391   -0.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0348   -2.9659    0.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3949    0.4621   -1.6310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2895   -1.1704   -1.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625    1.8784    1.6435 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4300    1.3146    0.3452 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