Monomers
N-Vinyl-2-pyrrolidone
Identifiers
IUPAC name
1-ethenylpyrrolidin-2-one
InchI
InChI=1S/C6H9NO/c1-2-7-5-3-4-6(7)8/h2H,1,3-5H2
InchI Key
WHNWPMSKXPGLAX-UHFFFAOYSA-N
SMILES
C=CN1CCCC1=O
Canonical SMILES
C=CN1CCCC1=O
Isomeric SMILES
C=CN1CCCC1=O
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C6H9NO
Heavy Atom Count
8
Molecular Weight
111.144
Exact Molecular Weight
111.0684
Valence Electrons
44
Radical Electrons
0
tPSA
20.31
MolLogP
0.7523
H Bond Acceptors
1
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
17 17 0 0 0 0 0 0 0 0999 V2000
2.4799 0.2623 -1.0246 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8604 -0.3298 -0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4566 -0.3184 0.0267 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.5197 0.2870 -0.8737 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4702 0.8768 0.1618 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7077 -0.3723 0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3183 -0.9298 1.0476 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0894 -1.7934 1.8594 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9319 0.7675 -1.7929 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5490 0.2458 -1.0661 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4131 -0.8330 0.7205 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0906 1.0243 -1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.0027 -0.5772 -1.4035 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3730 1.2912 -0.2702 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8743 1.5815 0.7645 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3523 -1.0459 0.4292 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0716 -0.1365 2.0086 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 3
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
7 3 1 0
1 9 1 0
1 10 1 0
2 11 1 0
4 12 1 0
4 13 1 0
5 14 1 0
5 15 1 0
6 16 1 0
6 17 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers