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
3.8940 -0.8307 0.1318 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7143 -0.2223 0.0619 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5355 1.2452 -0.0902 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0682 1.4323 0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5507 2.6023 0.0263 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4201 0.1704 0.0886 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3911 -0.8449 0.1185 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2626 -2.1018 0.1816 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0023 -0.0329 0.1274 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5400 -1.1665 0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8908 -1.3317 0.7150 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7128 -0.3880 0.1843 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2369 0.7684 -0.3956 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8557 0.9129 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8152 -0.2745 0.0803 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9033 -1.9048 0.2424 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0877 1.7970 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8616 1.5203 -1.1138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8465 -1.9074 1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2627 -2.2571 1.1781 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.7910 -0.5386 0.2131 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.9108 1.5215 -0.8182 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4548 1.8308 -0.8667 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