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
   -0.0334    0.7494    1.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7378    0.9323    0.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7217    1.8150    0.5415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3731    0.1707   -0.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9953    0.3557   -1.6591 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6407   -0.7687   -0.6003 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9387   -1.4705   -1.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0206   -2.4103   -1.6352 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8847   -3.1656   -1.5308 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0747    0.7474    1.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3551   -0.1865    2.4135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2573    1.5909    2.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0405    2.4099    1.3808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2683    1.9840   -0.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1844   -0.7326   -2.5967 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0386   -2.0211   -2.1232 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