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
3.7629 1.2512 0.1711 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6893 0.5085 0.3242 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6420 -0.9489 0.5624 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2595 -1.3150 0.1976 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9231 -2.5068 -0.0716 O 0 0 0 0 0 0 0 0 0 0 0 0
0.4598 -0.1459 0.2130 N 0 0 0 0 0 0 0 0 0 0 0 0
1.3198 1.0003 0.2899 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9292 2.2098 0.3214 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9772 -0.1138 0.1712 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7105 -0.7613 -0.7858 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1041 -0.7148 -0.8061 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.7598 0.0112 0.1739 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0536 0.6693 1.1448 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6778 0.6041 1.1381 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7355 0.7931 0.2141 H 0 0 0 0 0 0 0 0 0 0 0 0
3.6983 2.3128 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0
2.8546 -1.1259 1.6388 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3983 -1.5182 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2185 -1.3386 -1.5702 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.6805 -1.2306 -1.5680 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.8556 0.0270 0.1291 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5775 1.2239 1.8910 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0572 1.1087 1.8831 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