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
    1.9233   -0.0185   -0.4554 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6458   -0.4705   -0.7299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3742    0.0744    0.2041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1217   -0.7041    0.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6027    1.5057    0.3183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7810    2.6457    0.4214 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1497    0.8283   -0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3060   -0.2022   -1.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6585   -1.5731   -0.6153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8635   -0.3197    1.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9404   -1.7660    0.8784 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