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
   -0.8130   -0.9784    1.3046 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3422   -0.2910    0.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2252    0.1755   -0.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8609   -0.0955   -1.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3142    0.9173   -1.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2189    1.5101   -1.4612 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4427   -0.3524    1.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4520    0.5462    1.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2119   -1.0011    1.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6485   -0.6542   -0.6386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9993    0.2234   -2.1392 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