Monomers
2-Pyrrolidinone, 1-(1-oxo-2-propenyl)-
Identifiers
IUPAC name
1-prop-2-enoylpyrrolidin-2-one
InchI
InChI=1S/C7H9NO2/c1-2-6(9)8-5-3-4-7(8)10/h2H,1,3-5H2
InchI Key
DGPVNNMFVYYVDF-UHFFFAOYSA-N
SMILES
C=CC(=O)N1CCCC1=O
Canonical SMILES
C=CC(=O)N1CCCC1=O
Isomeric SMILES
C=CC(=O)N1CCCC1=O
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C7H9NO2
Heavy Atom Count
10
Molecular Weight
139.154
Exact Molecular Weight
139.0633
Valence Electrons
54
Radical Electrons
0
tPSA
37.38
MolLogP
0.3214
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
0
MOL File
RDKit 3D
19 19 0 0 0 0 0 0 0 0999 V2000
2.9312 0.6331 -0.4749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5178 -0.2070 0.4028 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1994 -0.5514 0.8446 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1286 -1.4899 1.7488 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.0506 -0.0624 0.4803 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.3493 -0.5930 0.9861 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2183 -0.5615 -0.2458 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6081 0.5009 -1.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4120 1.0008 -0.3491 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0565 2.1376 -0.4976 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3432 1.2755 -1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0
4.0273 0.7388 -0.6572 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3469 -0.7714 0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1488 -1.6227 1.3176 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7202 -0.0008 1.8201 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2045 -1.5693 -0.7475 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2804 -0.3409 -0.0268 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3014 1.3621 -1.2032 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2574 0.1214 -2.0969 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 2 0
3 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 5 1 0
1 11 1 0
1 12 1 0
2 13 1 0
6 14 1 0
6 15 1 0
7 16 1 0
7 17 1 0
8 18 1 0
8 19 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers