Monomers
4,4-Dimethyl-2-vinyloxazol-5(4H)-one
Identifiers
IUPAC name
2-ethenyl-4,4-dimethyl-1,3-oxazol-5-one
InchI
InChI=1S/C7H9NO2/c1-4-5-8-7(2,3)6(9)10-5/h4H,1H2,2-3H3
InchI Key
QKPKBBFSFQAMIY-UHFFFAOYSA-N
SMILES
C=CC1=NC(C(=O)O1)(C)C
Canonical SMILES
CC1(C(=O)OC(=N1)C=C)C
Isomeric SMILES
CC1(C(=O)OC(=N1)C=C)C
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
38.66
MolLogP
0.9063
H Bond Acceptors
3
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
19 19 0 0 0 0 0 0 0 0999 V2000
3.5731 0.1333 0.4742 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5238 -0.6221 0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1548 -0.1514 0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0692 -0.8140 0.4800 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.0476 -0.0281 0.0702 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4440 1.2506 -0.3528 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9945 2.2875 -0.8005 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9196 1.1175 -0.1652 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.7032 -0.6655 -1.1343 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0673 0.1609 1.1752 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4502 1.1230 0.0874 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5478 -0.2271 0.7087 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6735 -1.6284 1.0502 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.7552 -0.9292 -0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7093 0.0265 -1.9939 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1360 -1.5764 -1.4732 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2821 -0.8487 1.5835 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7637 0.8970 1.9200 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0093 0.4945 0.6842 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
4 5 1 0
5 6 1 0
6 7 2 0
6 8 1 0
5 9 1 0
5 10 1 0
8 3 1 0
1 11 1 0
1 12 1 0
2 13 1 0
9 14 1 0
9 15 1 0
9 16 1 0
10 17 1 0
10 18 1 0
10 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers