Monomers

2-Methoxyprop-2-enenitrile

Identifiers

IUPAC name
2-methoxyprop-2-enenitrile
InchI
InChI=1S/C4H5NO/c1-4(3-5)6-2/h1H2,2H3
InchI Key
PEIBTJDECFEPAF-UHFFFAOYSA-N
SMILES
COC(=C)C#N
Canonical SMILES
COC(=C)C#N
Isomeric SMILES
COC(=C)C#N
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C4H5NO
Heavy Atom Count
6
Molecular Weight
83.09
Exact Molecular Weight
83.0371
Valence Electrons
32
Radical Electrons
0
tPSA
33.02
MolLogP
0.6701
H Bond Acceptors
2
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

 11 10  0  0  0  0  0  0  0  0999 V2000
    1.4608    0.7079   -0.6392 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083    0.4228   -0.8383 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7462   -0.1308    0.0782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7581   -1.4448    0.2593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6429    0.6833    0.8601 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3729    1.3282    1.5072 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8404    1.1542   -1.6054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0955   -0.1816   -0.4696 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5339    1.4528    0.1846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4184   -1.9060    0.9717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1004   -2.0859   -0.3086 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  3  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  4 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers