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
    1.6343   -0.4501   -0.1352 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5767    0.0807    0.6364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6454    0.3352    0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4433   -0.6352   -0.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0167    1.7251   -0.1564 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3105    2.8396   -0.3133 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5146   -0.5748    0.5564 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2914   -1.4554   -0.4885 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8749    0.1766   -1.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1112   -1.6509   -0.2387 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3646   -0.3908   -0.8627 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