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
-0.5069 -2.2259 -0.1860 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3464 -0.9188 0.5859 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4519 -0.0443 0.2847 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.8030 0.5110 -0.9744 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1608 0.2975 -2.0334 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.0024 1.3454 -0.8220 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3666 1.3045 0.4577 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4256 0.4442 1.1995 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4925 0.1988 2.4317 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9620 -0.3044 0.2604 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2078 0.9991 0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4387 1.5752 0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3988 0.8521 -0.3415 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1739 -0.4375 -0.7101 C 0 0 0 0 0 0 0 0 0 0 0 0
1.9378 -1.0113 -0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2892 -2.0685 -1.2659 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5873 -2.4885 -0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0
0.1103 -3.0096 0.2657 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3114 -1.1992 1.6544 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4983 1.8923 -1.6050 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.2269 1.8384 0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0
0.4848 1.6101 1.1460 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6763 2.5940 0.5847 H 0 0 0 0 0 0 0 0 0 0 0 0
4.3783 1.2761 -0.5980 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9437 -1.0073 -1.2356 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7569 -2.0232 -0.6876 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