Monomers
1H-Pyrrole-2,5-dione, 1-(1-phenylethyl)-
Identifiers
IUPAC name
1-(1-phenylethyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-9(10-5-3-2-4-6-10)13-11(14)7-8-12(13)15/h2-9H,1H3
InchI Key
PWZXUQWQRVKGAH-UHFFFAOYSA-N
SMILES
CC(N1C(=O)C=CC1=O)c1ccccc1
Canonical SMILES
CC(C1=CC=CC=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC(C1=CC=CC=C1)N2C(=O)C=CC2=O
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
1.6726
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
0.2469 -2.1526 0.7963 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1969 -0.6569 0.9182 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4026 -0.0091 0.4645 N 0 0 0 0 0 0 0 0 0 0 0 0
1.9883 -0.0435 -0.8404 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4797 -0.6880 -1.8020 O 0 0 0 0 0 0 0 0 0 0 0 0
3.1821 0.7586 -0.7910 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3317 1.2495 0.4279 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2362 0.8022 1.2792 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0960 1.1040 2.5034 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0072 -0.1547 0.1885 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9718 -1.0118 -0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0735 -0.4897 -0.9658 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1767 0.8754 -1.1374 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2158 1.7394 -0.6591 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1209 1.2254 0.0096 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6022 -2.5816 1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0
1.1621 -2.5838 1.2506 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1305 -2.4253 -0.2598 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0445 -0.4143 1.9834 H 0 0 0 0 0 0 0 0 0 0 0 0
3.8354 0.9076 -1.6644 H 0 0 0 0 0 0 0 0 0 0 0 0
4.1523 1.8871 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8737 -2.0951 -0.1466 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.8222 -1.1900 -1.3362 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0220 1.2947 -1.6556 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2576 2.8064 -0.7711 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3416 1.8462 0.4042 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
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
2 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
8 3 1 0
15 10 1 0
1 16 1 0
1 17 1 0
1 18 1 0
2 19 1 0
6 20 1 0
7 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