Monomers

2-Isopropenyl-2-oxazoline

Identifiers

IUPAC name
2-prop-1-en-2-yl-4,5-dihydro-1,3-oxazole
InchI
InChI=1S/C6H9NO/c1-5(2)6-7-3-4-8-6/h1,3-4H2,2H3
InchI Key
LPIQIQPLUVLISR-UHFFFAOYSA-N
SMILES
CC(=C)C1=NCCO1
Canonical SMILES
CC(=C)C1=NCCO1
Isomeric SMILES
CC(=C)C1=NCCO1
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C6H9NO
Heavy Atom Count
8
Molecular Weight
111.144
Exact Molecular Weight
111.0684
Valence Electrons
44
Radical Electrons
0
tPSA
21.59
MolLogP
0.9912
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0

MOL File


     RDKit          3D

 17 17  0  0  0  0  0  0  0  0999 V2000
   -2.2462   -0.8755    0.2439 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3211    0.1023   -0.3750 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8241    1.0496   -1.1284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1385    0.0160   -0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7106   -0.8828    0.5745 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1468   -0.6882    0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2670    0.7477    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0876    0.8789   -0.6820 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8980   -0.3768    1.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6438   -1.6309    0.7656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9131   -1.3155   -0.5271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8754    1.1212   -1.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1690    1.7641   -1.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5911   -1.3915   -0.1524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5767   -0.8254    1.6030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1934    1.3758    1.0308 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1791    0.9309   -0.4700 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  1  0
  6  7  1  0
  7  8  1  0
  8  4  1  0
  1  9  1  0
  1 10  1  0
  1 11  1  0
  3 12  1  0
  3 13  1  0
  6 14  1  0
  6 15  1  0
  7 16  1  0
  7 17  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers