Monomers

2-(Hydroxymethyl)-acrylonitrile

Identifiers

IUPAC name
2-(hydroxymethyl)prop-2-enenitrile
InchI
InChI=1S/C4H5NO/c1-4(2-5)3-6/h6H,1,3H2
InchI Key
QQCSUIMCEIRRKH-UHFFFAOYSA-N
SMILES
OCC(=C)C#N
Canonical SMILES
C=C(CO)C#N
Isomeric SMILES
C=C(CO)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
44.02
MolLogP
0.0585
H Bond Acceptors
2
H Bond Donors
1
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
   -0.4875   -0.9895   -1.6325 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170   -1.0016   -0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1273    0.3032    0.3490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9474    0.9379    0.7750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4074    0.9071    0.5698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4374    1.4142    0.7425 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2086   -0.8481   -2.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0518   -1.3628   -0.2683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6045   -1.7573    0.2219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9159    1.8895    1.2821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9236    0.5076    0.6228 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
  2  8  1  0
  2  9  1  0
  4 10  1  0
  4 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers