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
    1.6662    0.1283    0.4874 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6939    0.4591   -0.4548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6033    0.0227   -0.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5175    0.6591    0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0057   -1.1272   -1.2182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3117   -2.0625   -1.8306 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625   -0.9841    0.5311 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6286    0.6030    0.1325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4310    0.4445    1.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5378    0.3203    0.2291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3063    1.5369    0.8322 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