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
   -1.3007   -0.6937    1.2192 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0291   -0.3867   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4009   -0.0353   -0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7265    1.1706   -0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4150   -0.9833    0.1917 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2213   -1.7613    0.5171 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2495    0.1481    1.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3004   -1.2686   -0.7394 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6615    0.4873   -0.3654 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0055    1.9032   -0.9280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7722    1.4196   -0.6737 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