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
   -0.2413   -0.6031   -1.6355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6299    0.3994   -0.8342 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1548    0.4083    0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1896    0.4147    1.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8508   -1.0745    0.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4839   -2.0234   -0.0299 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3156   -0.4116   -2.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7568    0.5200   -0.8202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1848    1.3901   -1.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1161    1.2573    2.4278 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8751   -0.2772    2.2365 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