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
    1.3833    0.7816   -1.0358 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1069    0.0184    0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3635   -0.1052    0.3210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1894    0.4927   -0.5106 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8797   -0.8556    1.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3015   -1.4820    2.3289 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3212    0.2480   -1.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4934   -1.0329   -0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5445    0.4483    0.9988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8555    1.0641   -1.3519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2597    0.4226   -0.3646 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