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
    0.2424   -1.5537    0.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5194   -0.1522    0.9617 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0917    0.7513    0.0431 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4219    0.3981   -1.1579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1737    2.1878    0.3289 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2567    3.3056    0.5457 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7641   -1.8473   -0.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4870   -2.1084    1.5905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8740   -1.5300    0.4705 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5190   -0.6233   -1.4465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7202    1.1721   -1.8290 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