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
   -1.5032    0.4756   -0.6869 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1406    0.1524   -1.0051 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7134   -0.0917    0.0613 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2113   -1.3050    0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0434    0.9715    0.9677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3146    1.8153    1.7128 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9389   -0.3589   -0.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0051    0.5991   -1.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5449    1.3882   -0.0667 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9709   -2.1130   -0.4488 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8791   -1.5335    1.0436 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