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
    1.5643    0.7266   -0.7323 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5769   -0.2405   -0.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4557   -0.0606    0.2603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4118    0.9180    1.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5273   -1.0147    0.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3780   -1.7956    0.3093 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    0.2544   -0.6086 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0501   -0.1715   -1.7917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9911   -1.2746   -0.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1930    0.9901    1.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3605    1.6684    1.1870 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