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
   -1.4349    1.1165    0.7429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1111   -0.0815    0.0767 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3382   -0.1632   -0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0284   -1.1422    0.3816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0415    0.8358   -0.9118 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6147    1.6185   -1.5462 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9797    1.8669    0.3232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6293   -0.0234   -0.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5077   -0.8792    0.7349 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5165   -1.9218    0.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1233   -1.2264    0.2461 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