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
   -1.7319   -0.7505    0.0174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6164   -0.4301   -0.7169 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4861    0.1298    0.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4009    0.2994    1.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6894    0.4832   -0.6311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6558    0.7529   -1.2078 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5371   -0.2035   -0.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2093   -1.3651   -1.1905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8413    0.3497   -1.4887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4982    0.0297    1.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2020    0.7044    1.9989 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