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
    1.6920   -0.1971    0.4401 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7303    0.5406   -0.2853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6380    0.3414   -0.1425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1868   -0.8427   -0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4744    1.4982    0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1512    2.4467    0.1221 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6934    0.1678    0.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5841   -1.2804    0.3413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6278    0.0238    1.5444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6250   -1.7682   -0.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2520   -0.9301   -0.0256 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