Monomers

2-Isocyanatoprop-1-ene

Identifiers

IUPAC name
2-isocyanatoprop-1-ene
InchI
InChI=1S/C4H5NO/c1-4(2)5-3-6/h1H2,2H3
InchI Key
UKQJZQQPMIFNHE-UHFFFAOYSA-N
SMILES
CC(=C)N=C=O
Canonical SMILES
CC(=C)N=C=O
Isomeric SMILES
CC(=C)N=C=O
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
29.43
MolLogP
0.8558
H Bond Acceptors
2
H Bond Donors
0
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
   -1.2909   -0.5994   -0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0907    0.2041    0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0892    1.4136   -0.2538 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8908   -0.3593    1.0810 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9676   -0.7606    0.5346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9831   -1.2191   -0.0403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0423   -1.6915   -0.1876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0497   -0.5572    0.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7408   -0.3115   -1.0639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6706    1.8575   -0.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9543    2.0234   -0.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  3
  2  4  1  0
  4  5  2  0
  5  6  2  0
  1  7  1  0
  1  8  1  0
  1  9  1  0
  3 10  1  0
  3 11  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers