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
    1.4250   -1.1689   -0.1909 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0307    0.1457    0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4438    0.2884   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1586   -0.7937   -0.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0483    1.5727    0.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5552    2.6033    0.2887 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8383   -1.4918    0.6543 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3840    0.5360    1.0156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4672    0.8312   -0.7604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2396   -0.7705   -0.3694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6997   -1.7526   -0.4424 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