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
    0.0490    1.0556   -1.4175 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3593   -0.2138   -1.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1434   -0.5998    0.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0303   -0.9103    1.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3293    1.1113    0.6962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6470    2.1904    0.9418 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390    1.1781   -1.8783 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0831   -0.9759   -1.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4989   -0.3307   -1.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3772   -0.4825    2.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2553   -2.0224    1.7099 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