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
   -1.6883   -0.0245    0.5479 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5282   -0.7003    0.1751 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6611   -0.1203   -0.1848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5930   -0.8407   -0.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9657    1.2688    0.0508 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2180    2.3844    0.2407 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5575    0.6247    1.4469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1634    0.5326   -0.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4417   -0.7970    0.8455 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3926   -1.8769   -0.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5487   -0.4508   -1.0865 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