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
    1.4672   -0.2564    0.8134 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8746   -0.1657   -0.4761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4710    0.1143   -0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3190   -0.0794    0.3409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9007    0.6067   -1.9194 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2513    0.9967   -2.9736 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9969   -1.0522    1.4233 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5214   -0.5831    0.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4429    0.7166    1.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9791   -0.4497    1.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3817    0.1522    0.1681 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