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
   -2.3023   -0.6436    0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2427    0.1430   -0.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4794    1.1745   -0.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1506   -0.2292   -0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4519   -1.2209    0.7202 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068    0.4615   -0.5822 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5191    0.0165   -0.3086 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7739    0.0719    1.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9864    0.1120    2.2812 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7391   -0.1609    1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0982   -0.8131   -0.3557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9567   -1.6531    0.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5000    1.4599   -1.1604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6998    1.7404   -1.4562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6418   -1.0505   -0.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2876    0.5917   -0.8313 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