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
   -2.3811    1.1332   -0.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2738    0.1347   -0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5648   -1.1445   -0.3073 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1151    0.5705   -0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4216    1.7752    0.1013 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1054   -0.3702   -0.0669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4847   -0.0886    0.0456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830   -1.3750   -0.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7566   -2.3932   -0.1076 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8822    1.0533    0.8543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1129    0.9119   -0.9574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9462    2.1165   -0.3386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7988   -1.9021   -0.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5970   -1.4404   -0.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7464    0.4634    0.9562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7439    0.5551   -0.8396 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