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
    0.7000   -1.6930    0.0846 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6557   -0.4949   -0.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2748    0.4736    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9244    0.1096    1.1232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4918    1.7930   -0.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6873    2.8569   -0.8769 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3604   -2.2790   -0.3375 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6785   -0.0324   -0.5605 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4148   -0.6046   -1.6626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8065   -0.8849    1.5696 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6248    0.7557    1.6501 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