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
   -0.9665   -0.0201    1.4653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0282    0.7157    0.6860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5558    0.1891   -0.4529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0827    0.5364   -1.6231 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6571   -0.7192   -0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5718   -1.4591   -0.3006 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2616    0.6362    2.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5374   -0.9825    1.8236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8480   -0.2524    0.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5185    0.1404   -2.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7442    1.2155   -1.7669 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