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
   -1.4876    1.0313   -0.6141 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8187    0.4087    0.4254 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4256   -0.2363   -0.0641 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5876    0.1434    0.4365 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3709   -1.2595   -1.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3253   -2.0994   -1.8637 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4314    0.8066   -0.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4796   -0.4392    0.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6616    1.0428    1.2976 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5328   -0.3100    0.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6367    0.9115    1.1911 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