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
   -1.4064    0.8750   -1.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1059   -0.4769   -0.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9393   -1.4576   -1.0531 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266   -0.7216    0.1583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2225   -1.8744    0.5956 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8630    0.2982    0.4907 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9975    0.1566    1.3353 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6561    1.4598    1.4679 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1773    2.5024    1.5573 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7973    1.0680   -2.1931 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0959    1.6788   -0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4861    0.9585   -1.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7876   -1.2985   -1.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7330   -2.4376   -0.6534 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7305   -0.5159    0.8299 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6780   -0.2149    2.3234 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