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
    1.7076   -0.5724   -0.7303 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5729   -0.9734   -0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2410    0.2002    0.3990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4824    0.2823   -0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3029    1.2156    1.2516 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7268    2.0492    1.9411 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5901    0.2920   -1.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0292   -1.6080   -0.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8737   -1.5739    0.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9551   -0.4427   -0.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0663    1.1310    0.2729 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