Monomers
1-Benzyl-3-methylenepyrrolidine-2,5-dione
Identifiers
IUPAC name
1-benzyl-3-methylidenepyrrolidine-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-9-7-11(14)13(12(9)15)8-10-5-3-2-4-6-10/h2-6H,1,7-8H2
InchI Key
OGHZHVONWMXUPW-UHFFFAOYSA-N
SMILES
O=C1CC(=C)C(=O)N1Cc1ccccc1
Canonical SMILES
C=C1CC(=O)N(C1=O)CC2=CC=CC=C2
Isomeric SMILES
C=C1CC(=O)N(C1=O)CC2=CC=CC=C2
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.5017
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
26 27 0 0 0 0 0 0 0 0999 V2000
1.1713 1.0696 -2.5447 O 0 0 0 0 0 0 0 0 0 0 0 0
1.4701 0.6678 -1.3748 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4644 1.2935 -0.4339 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8930 0.1011 0.3399 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0741 -0.0776 0.9445 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7734 -0.8294 0.3076 C 0 0 0 0 0 0 0 0 0 0 0 0
1.6462 -1.7854 1.1175 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8851 -0.4747 -0.7637 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3525 -1.1579 -1.1299 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4827 -0.5508 -0.3799 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1847 0.5194 -0.9172 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2342 1.0529 -0.1769 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5954 0.5605 1.0564 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8756 -0.5055 1.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8199 -1.0668 0.8531 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2811 1.7875 -0.9650 H 0 0 0 0 0 0 0 0 0 0 0 0
1.9418 2.0053 0.2559 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3001 -0.9833 1.4888 H 0 0 0 0 0 0 0 0 0 0 0 0
4.8194 0.6922 0.8921 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2070 -2.2249 -0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4805 -1.0540 -2.2228 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9118 0.9252 -1.8977 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8013 1.8845 -0.5632 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.4167 0.9818 1.6303 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1165 -0.9303 2.5241 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2409 -1.9005 1.2253 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 2 3
4 6 1 0
6 7 2 0
6 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
8 2 1 0
15 10 1 0
3 16 1 0
3 17 1 0
5 18 1 0
5 19 1 0
9 20 1 0
9 21 1 0
11 22 1 0
12 23 1 0
13 24 1 0
14 25 1 0
15 26 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers