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
   -1.3123   -0.5766    0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0255    0.0698   -0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0550    1.2245   -0.6391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1575   -0.6218    0.3260 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0912   -0.7966   -0.5383 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2998   -0.6468   -0.8367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9890   -0.6940   -0.5214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8405    0.1125    1.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1834   -1.5272    0.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8452    1.7449   -0.9378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9881    1.7114   -0.8804 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