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
    1.6893   -0.5462    0.4490 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7356   -0.4596   -0.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4586    0.1767    0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6149   -0.4519    0.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2710    1.4911    0.6578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1017    2.5441    1.1141 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5624   -0.1854    0.1898 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1284    0.2306   -1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4636   -1.4347   -0.9882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6975   -1.4177   -0.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4356    0.0531    0.6203 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