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
    1.8488    0.4843   -0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6959   -0.3367   -0.2116 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5494    0.0428   -0.1224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7029    0.3942   -0.0398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9963   -1.5441    0.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2801   -2.5487    1.1657 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7222   -0.1881   -0.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8312    1.1136   -1.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9493    1.1339    0.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9089    1.4511   -0.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6101   -0.0023    0.3262 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