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
    0.5583    1.1822   -1.4301 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3764    0.1945   -1.0702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0360   -0.3008    0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8025   -0.1783    1.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3306   -0.9065    0.4789 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3725   -1.3893    0.6305 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9459    1.6159   -0.6299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4206   -0.6193   -1.8009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3769    0.6660   -1.0219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5111   -0.5336    2.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7559    0.2693    1.0951 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