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
    1.6690   -0.2123    0.0763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5916   -0.1549   -0.8714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6553    0.1292   -0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3738   -0.8342    0.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1291    1.4930   -0.4091 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5003    2.5962   -0.4555 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4221   -1.0113    0.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6571    0.7776    0.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6364   -0.3266   -0.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3687   -0.6323    0.6127 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9489   -1.8242    0.1964 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