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
    1.6030    0.1350   -0.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8018    0.0440    0.6012 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5775    0.0390    0.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1777   -1.1233    0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2642    1.2891    0.3917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8146    2.3184    0.4065 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3461   -0.7560   -1.1979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2891    1.0632   -1.0935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6852    0.1346   -0.3254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2418   -1.1087    0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6494   -2.0352    0.1727 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