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
    0.1594    2.1150    1.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4569    1.1476    0.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4718    1.5643   -0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0761   -0.1950    0.2868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0397   -0.5212    1.0134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4291   -1.1836   -0.5579 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1572   -2.4916   -0.5596 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5572   -2.4186   -0.9287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6603   -2.3807   -1.2186 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1496    2.4669    0.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5309    2.9599    1.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3752    1.5427    2.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8860    2.5379   -0.3655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9371    0.8528   -1.0849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0075   -2.9170    0.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552   -3.0796   -1.2748 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