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
   -2.2205   -0.9164   -0.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2422   -0.1067    0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6951    0.8178    1.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2053   -0.3176    0.0514 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6373   -1.1903   -0.7272 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0914    0.4368    0.7646 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4930    0.3208    0.7040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8803    0.5901   -0.7016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1749    0.8184   -1.7929 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3259   -0.4219   -1.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8503   -1.9426   -0.7691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2100   -0.8975   -0.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7565    0.9550    1.1125 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9779    1.4216    1.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8740   -0.6574    1.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9222    1.0900    1.3801 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