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
    0.7482    1.4404   -0.5355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3341    0.8848    0.1362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5271   -0.4593    0.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2104   -1.3774   -0.4955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0917   -0.8161    1.6549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5655   -1.1040    2.6838 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7222    1.2273   -0.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6233    2.5619   -0.4847 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8053    1.1999   -1.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3895   -2.4093   -0.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2193   -1.1483   -1.4679 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