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
   -0.9476   -1.5452    0.8364 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9381   -0.6691   -0.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1518    0.3540   -0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1139    0.4479   -0.9350 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1618    1.2249    1.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1854    1.9418    2.0161 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0996   -1.5215    1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8011   -1.1624   -1.1997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8848   -0.0609   -0.2826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8983    1.1714   -0.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1600   -0.1809   -1.8133 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