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
    0.2895   -1.7300   -0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8297   -0.4502    0.1057 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1114    0.7288   -0.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1224    1.4587    1.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3898    1.1856   -1.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8026    1.5521   -2.3339 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1006   -1.8991   -1.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1100   -2.4618    0.1279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4816   -1.9151    0.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2473    1.1325    1.9888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6909    2.3985    0.9348 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