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
   -0.4886   -1.3876   -0.1064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1748    0.0455   -0.2030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0099    0.9801    0.1930 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0833    0.4228   -0.7474 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0047    0.8747    0.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9072    1.5877    0.4372 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2823   -1.6295    0.6063 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4462   -1.9170    0.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7396   -1.7349   -1.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9794    0.7385    0.6139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7667    2.0197    0.1161 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