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
   -2.2384    0.8986    0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2398   -0.1394   -0.0525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5836   -1.2425   -0.6507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1656    0.1134    0.2634 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4901    1.1690    0.8516 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1451   -0.8277   -0.0953 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4823   -0.5260    0.2391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8346    0.7566   -0.4077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0840    1.7351   -0.8979 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9851    0.4191    0.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7015    1.2247   -0.6354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7622    1.7596    0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7933   -1.9641   -0.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5794   -1.5272   -0.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1064   -1.3498   -0.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5751   -0.4992    1.3269 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