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
   -1.6187    1.4442    0.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2686    0.0827   -0.1587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1841   -0.6406   -0.7611 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0830   -0.4492   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3638   -1.5882   -0.4634 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0904    0.2869    0.6211 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3723   -0.3034    0.7178 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8599   -0.5658   -0.6236 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2681   -0.7703   -1.6898 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8018    1.4244    1.4593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5435    1.7682   -0.1440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8227    2.1803    0.1251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1902   -0.2792   -0.8848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9363   -1.6128   -1.1418 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668    0.3041    1.3104 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2617   -1.2812    1.2738 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