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
   -1.1376    0.1452   -1.2497 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9404    0.2868    0.1624 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3034    0.1148    0.7174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8337   -1.0994    0.7295 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9613    1.2732    1.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5104    2.2181    1.6868 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8383   -0.8951   -1.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2370    0.2471   -1.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5589    0.8859   -1.8189 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2959   -1.9279    0.3137 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8074   -1.2487    1.1592 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