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
   -0.0519   -1.0333    2.3810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4735   -0.0936    1.3105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5431    0.6528    1.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3413   -0.0419    0.1043 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3616   -0.7599   -0.0337 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0058    0.8026   -0.9171 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7194    0.9358   -2.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7882   -0.3089   -2.8743 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8351   -1.3061   -3.4507 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5939   -1.9965    2.2031 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0366   -1.1817    2.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4004   -0.6055    3.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1178    0.5938    2.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8552    1.3341    0.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7265    1.3301   -1.8652 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2214    1.6783   -2.7739 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