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
    1.7292   -0.3375   -0.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3964   -0.7297   -0.4199 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7026    0.0300   -0.1460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8904   -0.5465   -0.2449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5910    1.4141    0.2390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4930    2.5323    0.5366 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9983    0.4974   -1.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3493   -1.2384   -0.6436 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0342   -0.0487    0.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8152    0.0064   -0.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0152   -1.5795   -0.5300 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