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
    1.5959   -0.6215   -0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3680   -0.6641    0.4037 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6374    0.1694   -0.0161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8172   -0.3278   -0.2755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3820    1.5612   -0.1628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1553    2.7054   -0.2956 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3782   -0.8931   -1.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9024    0.4494   -0.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3692   -1.2799    0.1457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6563    0.2981   -0.6148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9657   -1.3971   -0.1491 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