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
   -1.3526   -1.0478    0.0904 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0020   -0.9108    0.4776 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6322    0.2784    0.1619 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7266    0.2430   -0.5450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1255    1.5626    0.5878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2959    2.5930    0.9397 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9969   -0.2601    0.5602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7360   -2.0161    0.4029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4562   -0.8990   -1.0028 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2319    1.1503   -0.7996 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1234   -0.6935   -0.8731 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