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
   -0.9095   -0.9150    0.2334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1356    0.2373   -0.2425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5737    1.4735   -0.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1401    0.0703   -0.8771 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1901   -0.1848   -0.1857 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1677   -0.8606    0.1755 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6835   -1.1960    1.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6246   -1.8077   -0.3814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0003   -0.7912    0.1744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5284    1.6259    0.3631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0424    2.3484   -0.4427 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