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
0.3798 -2.1233 -0.9969 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3633 -1.1513 0.1532 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4311 -0.2039 0.0805 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4421 0.0066 1.0583 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5655 -0.6080 2.1540 O 0 0 0 0 0 0 0 0 0 0 0 0
3.3482 1.0753 0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9082 1.4815 -0.5915 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7041 0.7127 -0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0248 0.8318 -2.0203 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9228 -0.3836 0.1849 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0594 0.7212 0.9979 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1997 1.4717 1.0812 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.2712 1.0766 0.2888 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1717 -0.0179 -0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0074 -0.7389 -0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2490 -1.6460 -1.9805 H 0 0 0 0 0 0 0 0 0 0 0 0
1.3300 -2.7004 -0.9138 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4345 -2.8759 -0.7799 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3752 -1.7527 1.0851 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2186 1.4721 1.1062 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3441 2.2625 -1.2221 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1941 0.9871 1.5957 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2666 2.3440 1.7414 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.1989 1.6628 0.3373 H 0 0 0 0 0 0 0 0 0 0 0 0
-4.0070 -0.3193 -1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.9508 -1.5847 -1.2257 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