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
   -1.2801    0.6706    1.1899 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9234    0.4393   -0.1577 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4144   -0.2056   -0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5738   -1.3932   -0.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5431    0.4433    0.4704 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4737    0.9597    0.9632 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5271    1.6239    1.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6836   -0.1897   -0.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8585    1.4130   -0.7109 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5312   -1.8682   -0.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2634   -1.8930   -1.0672 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