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
   -1.5847   -0.1196    1.0716 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9735   -0.2357   -0.1734 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4620    0.2240   -0.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4423   -0.5936   -0.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6564    1.5891    0.2794 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8251    2.6939    0.5837 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0480   -0.9269    1.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0621   -1.2461   -0.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4536    0.4624   -0.9100 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4542   -0.2350   -0.3676 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2819   -1.6124   -0.7126 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