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
   -2.1159   -0.0154   -1.3019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2065   -0.1709   -0.1354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7481   -0.3807    1.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2378   -0.1020   -0.2448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8221    0.0945   -1.3369 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0048   -0.2580    0.8943 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4035   -0.2147    0.9339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8265    1.1030    0.4499 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1461    2.1535    0.0775 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9461   -0.7474   -1.2321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4930    1.0378   -1.2645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5718   -0.2047   -2.2452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1296   -0.5037    1.9495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8040   -0.4417    1.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7059   -0.3261    2.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8683   -1.0235    0.3695 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