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
    1.6493    0.6541    0.6993 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4739    0.8603   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3577   -0.3615   -0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6785   -0.9372   -1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8168   -0.9193    1.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -1.3860    2.1760 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8828    1.4616    1.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7023    1.2308   -1.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0572    1.7153    0.4688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3140   -0.4881   -2.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2837   -1.8300   -1.2745 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