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
    1.6762   -0.1429   -0.6510 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4308    0.3457   -1.0850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7293    0.2934   -0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3388   -0.8629   -0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2569    1.4718    0.2811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6770    2.4460    0.7931 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4075    0.0506   -1.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    0.3446    0.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5979   -1.2286   -0.5574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2606   -0.9916    0.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9037   -1.7261   -0.7080 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