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
Resources
cid=

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
   -0.0207   -0.2839   -2.2338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2854   -0.7397   -0.8098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4520   -0.0241   -0.3192 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6503   -0.6558    0.0691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9235   -1.9057    0.0640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5620    0.3969    0.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9666    1.5681    0.3738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6163    1.3748   -0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7501    2.2500   -0.3856 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9145   -0.4958    0.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1230   -0.2273   -0.5623 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2750    0.0083    0.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1816   -0.0338    1.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9549   -0.3068    2.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8268   -0.5366    1.3920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9891   -0.1461   -2.7503 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5907   -1.0236   -2.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4599    0.7331   -2.2320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4551   -1.8206   -0.8386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5868    0.2210    0.8571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3987    2.5471    0.6158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2342   -0.1859   -1.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2212    0.2186   -0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0456    0.1413    2.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9517   -0.3251    3.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1226   -0.7484    1.9041 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