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
   -1.7073    0.1033    0.3539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4538    0.4966    0.9010 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6733    0.1242    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7618   -0.1646    0.8140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6565    0.0579   -1.2656 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6272    0.0129   -2.4525 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8632    0.5490   -0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4911    0.4095    1.0444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6359   -1.0157    0.2290 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6426   -0.4524    0.2846 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7899   -0.1207    1.8835 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