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
    1.8217   -0.3935   -0.5570 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5238   -0.4137   -1.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4269    0.2178   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0452    0.7356    1.0994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8243    0.2671   -0.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9649    0.2877   -0.6638 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0832   -1.2175   -0.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2047   -1.4866   -1.1409 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3952    0.0984   -1.9816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7562    1.1834    1.7657 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9887    0.7213    1.3959 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