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
    0.8738    1.2954    1.2242 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4877    1.0071   -0.0812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2381   -0.2693   -0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2482   -1.2526   -0.9387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4570   -0.4387    0.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4538   -0.5762    1.1874 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4926    0.6586    1.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3577    1.0152   -0.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2037    1.7996   -0.4128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2752   -2.1941   -1.0142 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1679   -1.0450   -1.4561 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