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
    1.7245    0.1763   -0.2313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5515   -0.5877   -0.2983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7458   -0.1174   -0.0581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4637   -0.9594    0.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2252    1.1179   -0.5349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6308    2.1697   -0.9187 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8051    1.0195   -0.9105 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5566   -0.5780   -0.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8907    0.5495    0.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4566   -0.8550    0.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0063   -1.9354    0.9784 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