Monomers
2,5-Pyrrolidinedione, 3-methylene-1-phenyl-
Identifiers
IUPAC name
3-methylidene-1-phenylpyrrolidine-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-6H,1,7H2
InchI Key
JLLCBHHFPWVBQP-UHFFFAOYSA-N
SMILES
C=C1CC(=O)N(C1=O)c1ccccc1
Canonical SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC=C2
Isomeric SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC=C2
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.5061
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
23 24 0 0 0 0 0 0 0 0999 V2000
3.8807 0.6275 -0.7003 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7162 0.0869 -0.3992 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5215 -1.2668 0.1627 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1024 -1.2553 0.5983 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6267 -2.1558 1.3596 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4104 -0.1448 0.0586 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3945 0.6681 -0.5465 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1527 1.7548 -1.1363 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9938 0.0342 0.1548 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4885 0.9589 1.0817 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8203 1.2001 1.2392 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7282 0.5007 0.4490 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2486 -0.3985 -0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8862 -0.6602 -0.6304 C 0 0 0 0 0 0 0 0 0 0 0 0
3.9624 1.6258 -1.1092 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8116 0.0980 -0.5502 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6200 -1.9868 -0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0
3.2214 -1.4875 1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7911 1.4955 1.6923 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2070 1.9184 1.9627 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7753 0.7121 0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9426 -0.9454 -1.0752 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5387 -1.3799 -1.3595 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 1 0
7 8 2 0
6 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
7 2 1 0
14 9 1 0
1 15 1 0
1 16 1 0
3 17 1 0
3 18 1 0
10 19 1 0
11 20 1 0
12 21 1 0
13 22 1 0
14 23 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers