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
2.6749 -0.3290 -0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8130 0.4994 0.4137 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4323 0.3596 0.1432 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.2288 -0.6398 -0.7017 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4970 -0.8914 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8988 0.5253 0.5379 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5767 1.2095 0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3498 2.3448 1.1730 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3171 -1.1129 -0.7650 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7197 -0.2081 0.0957 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1466 1.2879 1.0587 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3401 -1.5526 -0.8386 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.5384 -0.1344 -1.6259 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2225 -1.4564 1.0339 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2453 -1.3731 -0.5081 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4484 1.0094 -0.2801 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4380 0.4617 1.4873 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