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
2.6190 -0.7657 0.0036 C 0 0 0 0 0 0 0 0 0 0 0 0
1.8582 0.2335 -0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4284 0.1841 -0.2815 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3359 -0.9142 0.2747 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5186 -0.1566 0.8908 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8562 0.7686 -0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4761 1.2015 -0.6859 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1458 2.2584 -1.2852 O 0 0 0 0 0 0 0 0 0 0 0 0
3.6772 -0.6869 -0.1052 H 0 0 0 0 0 0 0 0 0 0 0 0
2.1910 -1.6459 0.4366 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2975 1.1042 -0.8318 H 0 0 0 0 0 0 0 0 0 0 0 0
0.2053 -1.5059 1.0086 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.7322 -1.4940 -0.5819 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.1414 0.4617 1.7051 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3408 -0.8242 1.1505 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4755 1.6184 0.0448 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2540 0.1630 -1.0759 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