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
   -0.8573   -0.9963   -0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1195    0.0559    0.3208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6456    1.2632    0.2925 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0839   -0.1601    1.0371 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1669   -0.0766    0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2065    0.0007   -0.3202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9293   -0.8792   -0.1564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6980   -0.7870   -1.5172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4973   -2.0156   -0.1854 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5560    1.5252   -0.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1544    2.0699    0.8139 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