Monomers
N-Vinylphthalimide
Identifiers
IUPAC name
2-ethenylisoindole-1,3-dione
InchI
InChI=1S/C10H7NO2/c1-2-11-9(12)7-5-3-4-6-8(7)10(11)13/h2-6H,1H2
InchI Key
IGDLZDCWMRPMGL-UHFFFAOYSA-N
SMILES
C=CN1C(=O)c2c(C1=O)cccc2
Canonical SMILES
C=CN1C(=O)C2=CC=CC=C2C1=O
Isomeric SMILES
C=CN1C(=O)C2=CC=CC=C2C1=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C10H7NO2
Heavy Atom Count
13
Molecular Weight
173.171
Exact Molecular Weight
173.0477
Valence Electrons
64
Radical Electrons
0
tPSA
37.38
MolLogP
1.4261
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1
MOL File
RDKit 3D
20 21 0 0 0 0 0 0 0 0999 V2000
3.7646 0.2312 0.2699 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7611 1.0555 0.2098 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4154 0.6070 0.0411 N 0 0 0 0 0 0 0 0 0 0 0 0
0.2572 1.4434 -0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2972 2.6984 0.0407 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9104 0.5884 -0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5318 -0.7357 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9378 -0.7221 -0.0852 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6080 -1.7815 -0.0740 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.4519 -1.7519 -0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7843 -1.4425 -0.5224 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1539 -0.1154 -0.4865 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2601 0.9085 -0.3332 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7644 0.6280 0.3989 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7047 -0.8382 0.2028 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9376 2.1350 0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1063 -2.7788 -0.4196 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5265 -2.2336 -0.6464 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1969 0.1541 -0.5822 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5258 1.9505 -0.3023 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 0
7 8 1 0
8 9 2 0
7 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
8 3 1 0
13 6 1 0
1 14 1 0
1 15 1 0
2 16 1 0
10 17 1 0
11 18 1 0
12 19 1 0
13 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers