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
    1.2114   -0.6564   -1.5321 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7301   -0.9024   -0.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2397    0.2013    0.0499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4993   -0.0843    0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1547    1.5784    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4625    2.7137    0.0242 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5123    0.2804   -1.6174 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2405   -1.8813   -0.2701 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5248   -0.8154    0.5285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2304    0.6794    0.5254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8668   -1.1134    0.3379 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