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
   -1.4501    1.7286   -1.0138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0396    0.3491   -0.6912 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8826   -0.6224   -0.8953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2734    0.0677   -0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0772    1.0205    0.0341 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6859   -1.2302    0.1562 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0029   -1.3953    0.6776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1459   -0.6311    1.9396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2749   -0.0261    2.9187 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8502    2.4910   -0.4595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2026    1.8828   -2.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5468    1.8978   -0.8928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8535   -0.4530   -1.2855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5696   -1.6246   -0.6553 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7074   -1.0160   -0.0836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2273   -2.4388    0.9100 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