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
   -1.1834    1.4477   -1.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0804    0.0139   -0.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0808   -0.8000   -0.9137 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1266   -0.4438   -0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1915   -1.6504    0.3208 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1671    0.4305    0.2458 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3191   -0.1025    0.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8617   -0.6209    2.1843 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4736   -1.0342    3.2167 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2867    2.0038   -0.7395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1028    1.8654   -0.5639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3206    1.4632   -2.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9882   -1.8521   -0.6116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9610   -0.4394   -1.3997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1122    0.6539    1.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7522   -0.9350    0.2676 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